Exact Mass: 413.2215492
Exact Mass Matches: 413.2215492
Found 428 metabolites which its exact mass value is equals to given mass value 413.2215492
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
AK toxin I
C23H27NO6 (413.18382820000005)
AK toxin I is produced by Alternaria alternata Japanese pear pathotyp
Norbuprenorphine
C25H35NO4 (413.25659500000006)
Norbuprenorphine is the primary active metabolite of buprenorphine. Norbuprenorphine acts as a μ-opioid, δ-opioid, and nociceptin receptor full agonist, as well as a κ-opioid receptor partial agonist. Norbuprenorphine crosses the blood-brain-barrier similarly to buprenorphine and likely contributes to its effects. It was observed that Intravenous administration of norbuprenorphine at 1 to 3 mg/kg decreased respiratory rate, whereas buprenorphine had no effect up to 3 mg/kg in rats. (Wikipedia) D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
o-Desmethyl ranolazine
C23H31N3O4 (413.23144460000003)
Dihydroetorphine
C25H35NO4 (413.25659500000006)
Ethacizine
C22H27N3O3S (413.1773032000001)
C - Cardiovascular system > C01 - Cardiac therapy > C01B - Antiarrhythmics, class i and iii > C01BC - Antiarrhythmics, class ic D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
Formamide, N-((1-((2-(diethylamino)ethyl)amino)-7-methoxy-9-oxo-9H-thioxanthen-4-yl)methyl)-
C22H27N3O3S (413.1773032000001)
(Z)-7-[(1R,2R,3R,4S)-3-[(E)-C-Methyl-N-(phenylcarbamothioylamino)carbonimidoyl]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
SR271425
C22H27N3O3S (413.1773032000001)
CONFIDENCE standard compound; INTERNAL_ID 716; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7383; ORIGINAL_PRECURSOR_SCAN_NO 7381 CONFIDENCE standard compound; INTERNAL_ID 716; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7419; ORIGINAL_PRECURSOR_SCAN_NO 7418 CONFIDENCE standard compound; INTERNAL_ID 716; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7419; ORIGINAL_PRECURSOR_SCAN_NO 7417 CONFIDENCE standard compound; INTERNAL_ID 716; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7456; ORIGINAL_PRECURSOR_SCAN_NO 7453 CONFIDENCE standard compound; INTERNAL_ID 716; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7467; ORIGINAL_PRECURSOR_SCAN_NO 7466 CONFIDENCE standard compound; INTERNAL_ID 716; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7462; ORIGINAL_PRECURSOR_SCAN_NO 7460
N-[4-(Benzyloxy)phenyl]-4-(3-cyano-2-pyridinyl)tetrahydro-1(2H)-pyrazinecarboxamide
2-benzyl-3-phenyl-propionic acid-[2-(3-diethylamino-propylsulfanyl)-ethyl ester]|2-Benzyl-3-phenyl-propionsaeure-[2-(3-diaethylamino-propylmercapto)-aethylester]
C25H35NO2S (413.23883700000005)
(13R)-2alpha,13-diacetyl-11alpha-hydroxyhetisane|trichodelphinine D
isariotin F
C21H32ClNO5 (413.19688920000004)
An organic heterobicyclic compound that is a lactol isolated from the entomopathogenic fungus Isaria tenuipes and exhibits antimalarial and antineoplastic activities.
(+)-O-ethyloreogenine|ethyloreogenine
C23H27NO6 (413.18382820000005)
17-phenyl trinor Prostaglandin E2 ethyl amide
C25H35NO4 (413.25659500000006)
Heliosupine N-oxide
Echimidine N-oxide
Norbuprenorphine
C25H35NO4 (413.25659500000006)
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids CONFIDENCE standard compound; INTERNAL_ID 1664
N-(2-(2,3,4,5-tetramethoxychalcon-2-yl)-ethyl)-acetamide
C23H27NO6 (413.18382820000005)
Physostigmine salicylate
C22H27N3O5 (413.19506120000005)
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor Physostigmine salicylate (Eserine salicylate) is a reversible acetylcholinesterase (AChE) inhibitor. Physostigmine salicylate crosses the blood-brain barrier and stimulates central cholinergic neurotransmission. Physostigmine salicylate can reverse memory deficits in transgenic mice with Alzheimer's disease. Physostigmine salicylate is also an antidote for anticholinergic poisoning[1][2][3][4].
Ala Ala Pro Arg
Ala Ala Arg Pro
Ala Ile Asn Pro
Ala Ile Pro Asn
Ala Lys Pro Val
C19H35N5O5 (413.26380600000005)
Ala Lys Val Pro
C19H35N5O5 (413.26380600000005)
Ala Leu Asn Pro
Ala Leu Pro Asn
Ala Asn Ile Pro
Ala Asn Leu Pro
Ala Asn Pro Ile
Ala Asn Pro Leu
Ala Pro Ala Arg
Ala Pro Ile Asn
Ala Pro Lys Val
C19H35N5O5 (413.26380600000005)
Ala Pro Leu Asn
Ala Pro Asn Ile
Ala Pro Asn Leu
Ala Pro Gln Val
Ala Pro Arg Ala
Ala Pro Val Lys
C19H35N5O5 (413.26380600000005)
Ala Pro Val Gln
Ala Gln Pro Val
Ala Gln Val Pro
Ala Arg Ala Pro
Ala Arg Pro Ala
Ala Val Lys Pro
C19H35N5O5 (413.26380600000005)
Ala Val Pro Lys
C19H35N5O5 (413.26380600000005)
Ala Val Pro Gln
Ala Val Gln Pro
Gly Ile Lys Pro
C19H35N5O5 (413.26380600000005)
Gly Ile Pro Lys
C19H35N5O5 (413.26380600000005)
Gly Ile Pro Gln
Gly Ile Gln Pro
Gly Lys Ile Pro
C19H35N5O5 (413.26380600000005)
Gly Lys Leu Pro
C19H35N5O5 (413.26380600000005)
Gly Lys Pro Ile
C19H35N5O5 (413.26380600000005)
Gly Lys Pro Leu
C19H35N5O5 (413.26380600000005)
Gly Leu Lys Pro
C19H35N5O5 (413.26380600000005)
Gly Leu Pro Lys
C19H35N5O5 (413.26380600000005)
Gly Leu Pro Gln
Gly Leu Gln Pro
Gly Pro Ile Lys
C19H35N5O5 (413.26380600000005)
Gly Pro Ile Gln
Gly Pro Lys Ile
C19H35N5O5 (413.26380600000005)
Gly Pro Lys Leu
C19H35N5O5 (413.26380600000005)
Gly Pro Leu Lys
C19H35N5O5 (413.26380600000005)
Gly Pro Leu Gln
Gly Pro Gln Ile
Gly Pro Gln Leu
Gly Gln Ile Pro
Gly Gln Leu Pro
Gly Gln Pro Ile
Gly Gln Pro Leu
Ile Ala Asn Pro
Ile Ala Pro Asn
Ile Gly Lys Pro
C19H35N5O5 (413.26380600000005)
Ile Gly Pro Lys
C19H35N5O5 (413.26380600000005)
Ile Gly Pro Gln
Ile Gly Gln Pro
Ile Lys Gly Pro
C19H35N5O5 (413.26380600000005)
Ile Lys Pro Gly
C19H35N5O5 (413.26380600000005)
Ile Asn Ala Pro
Ile Asn Pro Ala
Ile Pro Ala Asn
Ile Pro Gly Lys
C19H35N5O5 (413.26380600000005)
Ile Pro Gly Gln
Ile Pro Lys Gly
C19H35N5O5 (413.26380600000005)
Ile Pro Asn Ala
Ile Pro Gln Gly
Ile Gln Gly Pro
Ile Gln Pro Gly
Lys Ala Pro Val
C19H35N5O5 (413.26380600000005)
Lys Ala Val Pro
C19H35N5O5 (413.26380600000005)
Lys Gly Ile Pro
C19H35N5O5 (413.26380600000005)
Lys Gly Leu Pro
C19H35N5O5 (413.26380600000005)
Lys Gly Pro Ile
C19H35N5O5 (413.26380600000005)
Lys Gly Pro Leu
C19H35N5O5 (413.26380600000005)
Lys Ile Gly Pro
C19H35N5O5 (413.26380600000005)
Lys Ile Pro Gly
C19H35N5O5 (413.26380600000005)
Lys Leu Gly Pro
C19H35N5O5 (413.26380600000005)
Lys Leu Pro Gly
C19H35N5O5 (413.26380600000005)
Lys Pro Ala Val
C19H35N5O5 (413.26380600000005)
Lys Pro Gly Ile
C19H35N5O5 (413.26380600000005)
Lys Pro Gly Leu
C19H35N5O5 (413.26380600000005)
Lys Pro Ile Gly
C19H35N5O5 (413.26380600000005)
Lys Pro Leu Gly
C19H35N5O5 (413.26380600000005)
Lys Pro Val Ala
C19H35N5O5 (413.26380600000005)
Lys Val Ala Pro
C19H35N5O5 (413.26380600000005)
Lys Val Pro Ala
C19H35N5O5 (413.26380600000005)
Leu Ala Asn Pro
Leu Ala Pro Asn
Leu Gly Lys Pro
C19H35N5O5 (413.26380600000005)
Leu Gly Pro Lys
C19H35N5O5 (413.26380600000005)
Leu Gly Pro Gln
Leu Gly Gln Pro
Leu Lys Gly Pro
C19H35N5O5 (413.26380600000005)
Leu Lys Pro Gly
C19H35N5O5 (413.26380600000005)
Leu Asn Ala Pro
Leu Asn Pro Ala
Leu Pro Ala Asn
Leu Pro Gly Lys
C19H35N5O5 (413.26380600000005)
Leu Pro Gly Gln
Leu Pro Lys Gly
C19H35N5O5 (413.26380600000005)
Leu Pro Asn Ala
Leu Pro Gln Gly
Leu Gln Gly Pro
Leu Gln Pro Gly
Asn Ala Ile Pro
Asn Ala Leu Pro
Asn Ala Pro Ile
Asn Ala Pro Leu
Asn Ile Ala Pro
Asn Ile Pro Ala
Asn Leu Ala Pro
Asn Leu Pro Ala
Asn Pro Ala Ile
Asn Pro Ala Leu
Asn Pro Ile Ala
Asn Pro Leu Ala
Asn Pro Pro Ser
Asn Pro Ser Pro
Asn Ser Pro Pro
Pro Ala Ala Arg
Pro Ala Ile Asn
Pro Ala Lys Val
C19H35N5O5 (413.26380600000005)
Pro Ala Leu Asn
Pro Ala Asn Ile
Pro Ala Asn Leu
Pro Ala Gln Val
Pro Ala Arg Ala
Pro Ala Val Lys
C19H35N5O5 (413.26380600000005)
Pro Ala Val Gln
Pro Gly Ile Lys
C19H35N5O5 (413.26380600000005)
Pro Gly Ile Gln
Pro Gly Lys Ile
C19H35N5O5 (413.26380600000005)
Pro Gly Lys Leu
C19H35N5O5 (413.26380600000005)
Pro Gly Leu Lys
C19H35N5O5 (413.26380600000005)
Pro Gly Leu Gln
Pro Gly Gln Ile
Pro Gly Gln Leu
Pro Ile Ala Asn
Pro Ile Gly Lys
C19H35N5O5 (413.26380600000005)
Pro Ile Gly Gln
Pro Ile Lys Gly
C19H35N5O5 (413.26380600000005)
Pro Ile Asn Ala
Pro Ile Gln Gly
Pro Lys Ala Val
C19H35N5O5 (413.26380600000005)
Pro Lys Gly Ile
C19H35N5O5 (413.26380600000005)
Pro Lys Gly Leu
C19H35N5O5 (413.26380600000005)
Pro Lys Ile Gly
C19H35N5O5 (413.26380600000005)
Pro Lys Leu Gly
C19H35N5O5 (413.26380600000005)
Pro Lys Val Ala
C19H35N5O5 (413.26380600000005)
Pro Leu Ala Asn
Pro Leu Gly Lys
C19H35N5O5 (413.26380600000005)
Pro Leu Gly Gln
Pro Leu Lys Gly
C19H35N5O5 (413.26380600000005)
Pro Leu Asn Ala
Pro Leu Gln Gly
Pro Asn Ala Ile
Pro Asn Ala Leu
Pro Asn Ile Ala
Pro Asn Leu Ala
Pro Asn Pro Ser
Pro Asn Ser Pro
Pro Pro Asn Ser
Pro Pro Ser Asn
Pro Gln Ala Val
Pro Gln Gly Ile
Pro Gln Gly Leu
Pro Gln Ile Gly
Pro Gln Leu Gly
Pro Gln Val Ala
Pro Arg Ala Ala
Pro Ser Asn Pro
Pro Ser Pro Asn
Pro Val Ala Lys
C19H35N5O5 (413.26380600000005)
Pro Val Ala Gln
Pro Val Lys Ala
C19H35N5O5 (413.26380600000005)
Pro Val Gln Ala
Gln Ala Pro Val
Gln Ala Val Pro
Gln Gly Ile Pro
Gln Gly Leu Pro
Gln Gly Pro Ile
Gln Gly Pro Leu
Gln Ile Gly Pro
Gln Ile Pro Gly
Gln Leu Gly Pro
Gln Leu Pro Gly
Gln Pro Ala Val
Gln Pro Gly Ile
Gln Pro Gly Leu
Gln Pro Ile Gly
Gln Pro Leu Gly
Gln Pro Val Ala
Gln Val Ala Pro
Gln Val Pro Ala
Arg Ala Ala Pro
Arg Ala Pro Ala
Arg Pro Ala Ala
Ser Asn Pro Pro
Ser Pro Asn Pro
Ser Pro Pro Asn
Val Ala Lys Pro
C19H35N5O5 (413.26380600000005)
Val Ala Pro Lys
C19H35N5O5 (413.26380600000005)
Val Ala Pro Gln
Val Ala Gln Pro
Val Lys Ala Pro
C19H35N5O5 (413.26380600000005)
Val Lys Pro Ala
C19H35N5O5 (413.26380600000005)
Val Pro Ala Lys
C19H35N5O5 (413.26380600000005)
Val Pro Ala Gln
Val Pro Lys Ala
C19H35N5O5 (413.26380600000005)
Val Pro Gln Ala
Val Gln Ala Pro
Val Gln Pro Ala
ethyl amide
C25H35NO4 (413.25659500000006)
tert-butyl (4S,7R)-7-(1,3-dioxoisoindol-2-yl)-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylate
C22H27N3O5 (413.19506120000005)
Delanzomib
C21H28BN3O5 (413.21219080000003)
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D061988 - Proteasome Inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2160 - Proteasome Inhibitor C471 - Enzyme Inhibitor
(S)-4-((10,12-DIOXO-12-((2-OXOTETRAHYDROFURAN-3-YL)AMINO)DODECYL)OXY)-4-OXOBUTANOIC ACID
2-CHLORO-9-ISOPROPYL-N-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)-9H-PURIN-6-AMINE
n,n-dibenzyl-o-(t-butyldimethylsilyl)-l-serine methyl ester
C24H35NO3Si (413.23860800000006)
Lasofoxifene
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03X - Other sex hormones and modulators of the genital system > G03XC - Selective estrogen receptor modulators C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1821 - Selective Estrogen Receptor Modulator C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist C1892 - Chemopreventive Agent
Dihydroetorphine
C25H35NO4 (413.25659500000006)
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
N-(1-methylpyrazol-3-yl)-3,5-bis(phenylmethoxy)benzamide
Fluspiperone
C23H25F2N3O2 (413.19147339999995)
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
15-Keto Bimatoprost
C25H35NO4 (413.25659500000006)
Spiro[2H-indole-2,3-[3H]naphth[2,1-b][1,4]oxazine], 1,3-dihydro-1,3,3-triMethyl-6-(4-Morpholinyl)-
Amiselimod hydrochloride
C308 - Immunotherapeutic Agent > C574 - Immunosuppressant
(1R,2S)-2-CHLORO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-OL
1-(3-(4-(3-Chlorophenyl)-1-piperazinyl)propyl)-5-methoxy-3,4-dihydro-2-quinolinone
C23H28ClN3O2 (413.18699380000004)
Methyl 2-benzamido-1-(3-phenylpropyl)-1H-benzo[d]imidazole-5-carboxylate
N-[4-[2-(2-ethyl-1-oxobutyl)-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
C22H27N3O3S (413.1773032000001)
Butyl 4-(4-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
3-Methyl-7-[(4-methylphenyl)methyl]-8-[2-(1-piperidinyl)ethylthio]purine-2,6-dione
C21H27N5O2S (413.18853620000004)
5-Cyano-2-phenyl-6-[4-(2-pyridinyl)-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester
Phosphonic acid, [2-[bis(trimethylsilyl)amino]ethyl]-, bis(trimethylsilyl) ester
16-(2-Hydroxy-3,3-dimethylbutan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol
C25H35NO4 (413.25659500000006)
5-Hydroxy-2-(3-methylbutanoyl)-4,4,6-tris(3-methylbut-2-en-1-yl)-3-oxocyclohexa-1,5-dien-1-olate
5-Hydroxy-2-(2-methylbutanoyl)-4,4,6-tris(3-methylbut-2-en-1-yl)-3-oxocyclohexa-1,5-dien-1-olate
(E)-7-[3-[(E)-C-methyl-N-(phenylcarbamothioylamino)carbonimidoyl]norbornan-2-yl]hept-5-enoic acid
N-[2-[2-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-4,5-dimethoxyphenyl]ethyl]acetamide
C23H27NO6 (413.18382820000005)
2-(N-(2-chloro-1-oxoethyl)-3,4-dimethylanilino)-N-cyclohexyl-2-(3-pyridinyl)acetamide
C23H28ClN3O2 (413.18699380000004)
3-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-(3-methyl-1-piperidinyl)-1-propanone
3-[8-imino-7-(4-methoxyphenyl)-7H-benzo[7,8]chromeno[2,3-d]pyrimidin-9(8H)-yl]propan-1-ol
2-(4-benzoyl-1-piperazinyl)-N-(2-phenylphenyl)propanamide
2-[4-(9H-fluoren-9-yl)-1-piperazinyl]-N-(4-methoxyphenyl)acetamide
5-[2-(3,4-Dimethoxyphenyl)ethylamino]-2-(1-naphthalenylmethyl)-4-oxazolecarbonitrile
Ethyl 1-[2-({3-[ethyl(phenyl)amino]propyl}amino)-3,4-dioxocyclobut-1-en-1-yl]piperidine-4-carboxylate
C23H31N3O4 (413.23144460000003)
[1-[(6-chloro-2H-1-benzopyran-3-yl)methyl]-4-(2-phenoxyethyl)-4-piperidinyl]methanol
C24H28ClNO3 (413.17576080000003)
2-Cyano-3-(3,5-dimethoxyphenyl)-2-[(3,5-dimethoxyphenyl)methyl]propanoic acid ethyl ester
C23H27NO6 (413.18382820000005)
N-(1H-indol-5-yl)-1-[3-methyl-2-[[2-(methylamino)-1-oxopropyl]amino]-1-oxobutyl]-2-pyrrolidinecarboxamide
N-[[(2R,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methylmethanesulfonamide
C19H31N3O5S (413.19843160000005)
N-(5-chloro-2-methoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
C23H28ClN3O2 (413.18699380000004)
2-Amino-6,7-dimethyl-5-(1-octylpyridin-1-ium-3-carbonyl)-1,6,7,8-tetrahydropteridin-4-one
4-fluoro-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
(2R,3S,4R)-4-(hydroxymethyl)-3-[4-(3-methoxyphenyl)phenyl]-1-(1-oxo-2-pyridin-4-ylethyl)-2-azetidinecarbonitrile
(1S,5R)-N-(4-fluorophenyl)-7-[4-[(E)-2-phenylethenyl]phenyl]-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide
[(1R)-2-[(2,5-difluorophenyl)methyl]-7-methoxy-1-methyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]methanol
C23H25F2N3O2 (413.19147339999995)
N-[(4R,7S,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C19H31N3O5S (413.19843160000005)
(2S,3R,4S)-4-(hydroxymethyl)-3-[4-(3-methoxyphenyl)phenyl]-1-(1-oxo-2-pyridin-4-ylethyl)-2-azetidinecarbonitrile
(2S,3S,4S)-4-(hydroxymethyl)-3-[4-(3-methoxyphenyl)phenyl]-1-(1-oxo-2-pyridin-4-ylethyl)-2-azetidinecarbonitrile
(1S,9R,10R,11R)-5-(cyclopenten-1-yl)-10-(hydroxymethyl)-6-oxo-12-propanoyl-N-propyl-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
C23H31N3O4 (413.23144460000003)
N-[(4R,7S,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[(4S,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C19H31N3O5S (413.19843160000005)
(2R,3R,4S)-4-(hydroxymethyl)-3-[4-(3-methoxyphenyl)phenyl]-1-(1-oxo-2-pyridin-4-ylethyl)-2-azetidinecarbonitrile
(1R,9S,10S,11S)-5-(cyclopenten-1-yl)-10-(hydroxymethyl)-6-oxo-12-propanoyl-N-propyl-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
C23H31N3O4 (413.23144460000003)
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
C21H27N5O4 (413.20629420000006)
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
C21H27N5O4 (413.20629420000006)
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
C21H27N5O4 (413.20629420000006)
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
C21H27N5O4 (413.20629420000006)
N-[[(2R,3R)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methylmethanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[[(2R,3S)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methylmethanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[(4S,7S,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[(5R,6R,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[(5R,6R,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[(5S,6R,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
C19H31N3O5S (413.19843160000005)
4-fluoro-N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
4-fluoro-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
4-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
1-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]-3-propan-2-ylurea
C19H31N3O5S (413.19843160000005)
(1R,9S,10S,11S)-12-(cyclopentylmethyl)-10-(hydroxymethyl)-6-oxo-5-[(E)-prop-1-enyl]-N-propyl-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
[(1S)-2-[(2,5-difluorophenyl)methyl]-7-methoxy-1-methyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]methanol
C23H25F2N3O2 (413.19147339999995)
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
C21H27N5O4 (413.20629420000006)
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
C21H27N5O4 (413.20629420000006)
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
C21H27N5O4 (413.20629420000006)
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
C21H27N5O4 (413.20629420000006)
N-[[(2R,3R)-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methylmethanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[(4S,7S,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[(4S,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[(4R,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[(4R,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[(5S,6S,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[(5S,6S,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[(5R,6S,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[(5S,6R,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
C19H31N3O5S (413.19843160000005)
4-fluoro-N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
4-fluoro-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
4-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
4-fluoro-N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
1-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]-3-propan-2-ylurea
C19H31N3O5S (413.19843160000005)
1-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]-3-propan-2-ylurea
C19H31N3O5S (413.19843160000005)
1-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]-3-propan-2-ylurea
C19H31N3O5S (413.19843160000005)
N,N-dimethyl-4-[4-[(1S,5R)-3-(5-pyrimidinylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzamide
(1R,5S)-N-(2-methoxyphenyl)-7-[4-(2-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide
[(1S)-1-(hydroxymethyl)-7-methoxy-1,9-dimethyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]-(4-oxanyl)methanone
C23H31N3O4 (413.23144460000003)
(2R,3R)-1-[(3-chlorophenyl)methyl]-2-(hydroxymethyl)-3-phenyl-N-propyl-1,6-diazaspiro[3.3]heptane-6-carboxamide
C23H28ClN3O2 (413.18699380000004)
[(1S)-1-(hydroxymethyl)-7-methoxy-1-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4-piperidine]yl]-(4-oxanyl)methanone
C23H31N3O4 (413.23144460000003)
[(1R)-1-(hydroxymethyl)-7-methoxy-1-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4-piperidine]yl]-(4-oxanyl)methanone
C23H31N3O4 (413.23144460000003)
(2S,3R)-1-[(3-chlorophenyl)methyl]-2-(hydroxymethyl)-3-phenyl-N-propyl-1,6-diazaspiro[3.3]heptane-6-carboxamide
C23H28ClN3O2 (413.18699380000004)
(2S,3S)-1-[(3-chlorophenyl)methyl]-2-(hydroxymethyl)-3-phenyl-N-propyl-1,6-diazaspiro[3.3]heptane-6-carboxamide
C23H28ClN3O2 (413.18699380000004)
[(1S)-1-[(2,5-difluorophenyl)methyl]-7-methoxy-9-methyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]methanol
C23H25F2N3O2 (413.19147339999995)
[(1R)-1-[(2,5-difluorophenyl)methyl]-7-methoxy-9-methyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]methanol
C23H25F2N3O2 (413.19147339999995)
(2S,3S,3aR,9bR)-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-7-[(E)-prop-1-enyl]-1-(3,3,3-trifluoropropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
C20H26F3N3O3 (413.1926162000001)
(2R,3R,3aS,9bS)-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-7-[(E)-prop-1-enyl]-1-(3,3,3-trifluoropropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
C20H26F3N3O3 (413.1926162000001)
3-Farnesyl-2,3,5-trimethyl-6-hydroxy-4-oxocyclohexa-1,5-diene-1-carboxylic acid methyl ester
(1S,9R,10R,11R)-12-(cyclopentylmethyl)-10-(hydroxymethyl)-6-oxo-5-[(E)-prop-1-enyl]-N-propyl-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
[(2S,3S)-2-benzhydryl-1-azabicyclo[2.2.2]octan-3-yl]-[(2-methoxyphenyl)methyl]azanium
[(4R,7R,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2R)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate
2-Amino-3-[(3-decanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxypropanoic acid
2-(2-Butyl-5-methyl-1,3,2-dioxaborolan-4-yl)methoxy-N-(2-ethylaminoethyl)-4-quinolinecarboxamide
Ethacizine
C22H27N3O3S (413.1773032000001)
C - Cardiovascular system > C01 - Cardiac therapy > C01B - Antiarrhythmics, class i and iii > C01BC - Antiarrhythmics, class ic D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
lupulone(1-)
A beta-bitter acid(1-) that is the conjugate base of lupulone, obtained by deprotonation of the 1-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
adlupulone(1-)
A beta-bitter acid(1-) that is the conjugate base of adlupulone, obtained by deprotonation of one of the enolic hydroxy groups. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
KRAS inhibitor-3
KRAS inhibitor-3 is an inhibitor of KRAS inhibitor. KRAS inhibitor-3 binds to WT and oncogenic KRAS mutants with high affinity (KD: 0.28 μM for KRAS WT, 0.63 μM for KRAS G12C, 0.37 μM for KRAS G12D, 0.74 μM for KRAS Q61H). KRAS inhibitor-3 also disrupts interaction of KRAS with Raf[1].
(2s)-2-{[(2s)-1-hydroxy-2-{[hydroxy((2s)-pyrrolidin-2-yl)methylidene]amino}-3-(1h-indol-3-yl)propylidene]amino}-4-methylpentanimidic acid
(2e)-n-[(2r,3s,4as,8r,8ar)-8-chloro-2,4a-dihydroxy-5-oxo-3,4,8,8a-tetrahydro-2h-1-benzopyran-3-yl]dodec-2-enimidic acid
C21H32ClNO5 (413.19688920000004)
3-{hydroxy[1,3,6-trimethyl-2-(penta-1,3-dien-1-yl)-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-1-yl]methylidene}-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione
C25H35NO4 (413.25659500000006)
methyl (1r,3s,4r,10s,14s,15r,18r,19s)-18-[(acetyloxy)methyl]-14-methyl-12-azahexacyclo[10.6.1.1¹,⁴.0¹⁰,¹⁸.0¹⁵,¹⁹.0⁷,²⁰]icos-7(20)-ene-3-carboxylate
C25H35NO4 (413.25659500000006)
12-ethyl-20-hydroxy-5-methyl-19-methylidene-10-oxa-12-azaheptacyclo[16.2.1.0¹,¹⁵.0²,¹³.0⁴,¹⁴.0⁵,¹¹.0⁸,¹⁴]henicosan-17-yl acetate
C25H35NO4 (413.25659500000006)
n-[(2r,3s,4as,8r,8ar)-8-chloro-2,4a-dihydroxy-5-oxo-3,4,8,8a-tetrahydro-2h-1-benzopyran-3-yl]dodec-2-enimidic acid
C21H32ClNO5 (413.19688920000004)