Exact Mass: 419.2130178000001
Exact Mass Matches: 419.2130178000001
Found 500 metabolites which its exact mass value is equals to given mass value 419.2130178000001
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Roquefortine F
Roquefortine F is a fungal secondary metabolite classified as an indole diterpene. It is produced by certain species of Penicillium fungi, notably those used in the production of Roquefort cheese. This compound belongs to a family of organic compounds characterized by the presence of an indole ring and a diterpene backbone. Indole diterpenes are known for their diverse biological activities, which can include antibiotic, antitumor, and anti-inflammatory effects. Roquefortine F, in particular, has been of interest in the fields of food science and pharmaceutical research. In the context of food, it can contribute to the flavor profile and safety of certain fermented products. In drug development, it may serve as a template molecule for the synthesis of new pharmaceuticals due to its unique chemical structure and potential therapeutic properties. The exact chemical structure of Roquefortine F can be complex, featuring a bicyclic core with various functional groups attached to the indole ring and diterpene scaffold. This complexity contributes to its diverse biological activities and potential applications in different fields.
11-Deoxycortisol-3-carboxymethyloxime
C23H33NO6 (419.23077580000006)
(3E)-1-[1-(4-Fluorophenyl)ethyl]-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one
Adimolol
C25H29N3O3 (419.22088040000006)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
Caldiamide
(4-((5,6-Diphenylpyrazin-2-yl)(isopropyl)amino)butoxy)acetic acid
C25H29N3O3 (419.22088040000006)
7-(4,5-Dimethoxy-2-methyl-1-naphthalenyl)-3,4-dihydro-6,8-dimethoxy-1,3-dimethylisoquinoline
C26H29NO4 (419.20964740000005)
1,3-Dimethyl-6,8-dimethoxy-5-(4,5-dimethoxy-7-methyl-1-naphthyl)-3,4-dihydroisoquinoline
C26H29NO4 (419.20964740000005)
Ser Asp Ala Lys
Ser Ala Asp Lys
MRE-269
C25H29N3O3 (419.22088040000006)
MRE-269 is an active metabolite of selexipag, and acts as a selective IP receptor agonist.
MLS002153420-01!Pregnenolone sulfate sodium salt1852-38-6
[C21H32NaO5S]+ (419.18680420000004)
C22H29NO7_2H-Isoindole-2-acetic acid, 7-carboxy-1,3-dihydro-6-methoxy-5-methyl-4-[(3-methyl-2-buten-1-yl)oxy]-alpha-(1-methylpropyl)-1-oxo
Ala Ala Cys Arg
C15H29N7O5S (419.19507840000006)
Ala Ala Lys Met
C17H33N5O5S (419.22022880000003)
Ala Ala Met Lys
C17H33N5O5S (419.22022880000003)
Ala Ala Arg Cys
C15H29N7O5S (419.19507840000006)
Ala Cys Ala Arg
C15H29N7O5S (419.19507840000006)
Ala Cys Lys Val
C17H33N5O5S (419.22022880000003)
Ala Cys Arg Ala
C15H29N7O5S (419.19507840000006)
Ala Cys Val Lys
C17H33N5O5S (419.22022880000003)
Ala Asp Lys Ser
Ala Asp Ser Lys
Ala Lys Ala Met
C17H33N5O5S (419.22022880000003)
Ala Lys Cys Val
C17H33N5O5S (419.22022880000003)
Ala Lys Asp Ser
Ala Lys Met Ala
C17H33N5O5S (419.22022880000003)
Ala Lys Ser Asp
Ala Lys Thr Thr
Ala Lys Val Cys
C17H33N5O5S (419.22022880000003)
Ala Met Ala Lys
C17H33N5O5S (419.22022880000003)
Ala Met Lys Ala
C17H33N5O5S (419.22022880000003)
Ala Gln Thr Thr
Ala Arg Ala Cys
C15H29N7O5S (419.19507840000006)
Ala Arg Cys Ala
C15H29N7O5S (419.19507840000006)
Ala Arg Ser Ser
Ala Ser Asp Lys
Ala Ser Lys Asp
Ala Ser Arg Ser
Ala Ser Ser Arg
Ala Thr Lys Thr
Ala Thr Gln Thr
Ala Thr Thr Lys
Ala Thr Thr Gln
Ala Val Cys Lys
C17H33N5O5S (419.22022880000003)
Ala Val Lys Cys
C17H33N5O5S (419.22022880000003)
Cys Ala Ala Arg
C15H29N7O5S (419.19507840000006)
Cys Ala Lys Val
C17H33N5O5S (419.22022880000003)
Cys Ala Arg Ala
C15H29N7O5S (419.19507840000006)
Cys Ala Val Lys
C17H33N5O5S (419.22022880000003)
Cys Gly Ile Lys
C17H33N5O5S (419.22022880000003)
Cys Gly Lys Ile
C17H33N5O5S (419.22022880000003)
Cys Gly Lys Leu
C17H33N5O5S (419.22022880000003)
Cys Gly Leu Lys
C17H33N5O5S (419.22022880000003)
Cys Ile Gly Lys
C17H33N5O5S (419.22022880000003)
Cys Ile Lys Gly
C17H33N5O5S (419.22022880000003)
Cys Lys Ala Val
C17H33N5O5S (419.22022880000003)
Cys Lys Gly Ile
C17H33N5O5S (419.22022880000003)
Cys Lys Gly Leu
C17H33N5O5S (419.22022880000003)
Cys Lys Ile Gly
C17H33N5O5S (419.22022880000003)
Cys Lys Leu Gly
C17H33N5O5S (419.22022880000003)
Cys Lys Val Ala
C17H33N5O5S (419.22022880000003)
Cys Leu Gly Lys
C17H33N5O5S (419.22022880000003)
Cys Leu Lys Gly
C17H33N5O5S (419.22022880000003)
Cys Arg Ala Ala
C15H29N7O5S (419.19507840000006)
Cys Val Ala Lys
C17H33N5O5S (419.22022880000003)
Cys Val Lys Ala
C17H33N5O5S (419.22022880000003)
Asp Ala Lys Ser
Asp Ala Ser Lys
Asp Gly Lys Thr
Asp Gly Thr Lys
Asp Lys Ala Ser
Asp Lys Gly Thr
Asp Lys Ser Ala
Asp Lys Thr Gly
Asp Ser Ala Lys
Asp Ser Lys Ala
Asp Thr Gly Lys
Asp Thr Lys Gly
Glu Gly Lys Ser
Glu Gly Ser Lys
Glu Lys Gly Ser
Glu Lys Ser Gly
Glu Ser Gly Lys
Glu Ser Lys Gly
Gly Cys Ile Lys
C17H33N5O5S (419.22022880000003)
Gly Cys Lys Ile
C17H33N5O5S (419.22022880000003)
Gly Cys Lys Leu
C17H33N5O5S (419.22022880000003)
Gly Cys Leu Lys
C17H33N5O5S (419.22022880000003)
Gly Asp Lys Thr
Gly Asp Thr Lys
Gly Glu Lys Ser
Gly Glu Ser Lys
Gly Gly Met Arg
C15H29N7O5S (419.19507840000006)
Gly Gly Arg Met
C15H29N7O5S (419.19507840000006)
Gly Ile Cys Lys
C17H33N5O5S (419.22022880000003)
Gly Ile Lys Cys
C17H33N5O5S (419.22022880000003)
Gly Lys Cys Ile
C17H33N5O5S (419.22022880000003)
Gly Lys Cys Leu
C17H33N5O5S (419.22022880000003)
Gly Lys Asp Thr
Gly Lys Glu Ser
Gly Lys Ile Cys
C17H33N5O5S (419.22022880000003)
Gly Lys Leu Cys
C17H33N5O5S (419.22022880000003)
Gly Lys Ser Glu
Gly Lys Thr Asp
Gly Leu Cys Lys
C17H33N5O5S (419.22022880000003)
Gly Leu Lys Cys
C17H33N5O5S (419.22022880000003)
Gly Met Gly Arg
C15H29N7O5S (419.19507840000006)
Gly Met Arg Gly
C15H29N7O5S (419.19507840000006)
Gly Arg Gly Met
C15H29N7O5S (419.19507840000006)
Gly Arg Met Gly
C15H29N7O5S (419.19507840000006)
Gly Arg Ser Thr
Gly Arg Thr Ser
Gly Ser Glu Lys
Gly Ser Lys Glu
Gly Ser Arg Thr
Gly Ser Thr Arg
Gly Thr Asp Lys
Gly Thr Lys Asp
Gly Thr Arg Ser
Gly Thr Ser Arg
Ile Cys Gly Lys
C17H33N5O5S (419.22022880000003)
Ile Cys Lys Gly
C17H33N5O5S (419.22022880000003)
Ile Gly Cys Lys
C17H33N5O5S (419.22022880000003)
Ile Gly Lys Cys
C17H33N5O5S (419.22022880000003)
Ile Lys Cys Gly
C17H33N5O5S (419.22022880000003)
Ile Lys Gly Cys
C17H33N5O5S (419.22022880000003)
Ile Asn Ser Ser
Ile Ser Asn Ser
Ile Ser Ser Asn
Lys Ala Ala Met
C17H33N5O5S (419.22022880000003)
Lys Ala Cys Val
C17H33N5O5S (419.22022880000003)
Lys Ala Asp Ser
Lys Ala Met Ala
C17H33N5O5S (419.22022880000003)
Lys Ala Ser Asp
Lys Ala Thr Thr
Lys Ala Val Cys
C17H33N5O5S (419.22022880000003)
Lys Cys Ala Val
C17H33N5O5S (419.22022880000003)
Lys Cys Gly Ile
C17H33N5O5S (419.22022880000003)
Lys Cys Gly Leu
C17H33N5O5S (419.22022880000003)
Lys Cys Ile Gly
C17H33N5O5S (419.22022880000003)
Lys Cys Leu Gly
C17H33N5O5S (419.22022880000003)
Lys Cys Val Ala
C17H33N5O5S (419.22022880000003)
Lys Asp Ala Ser
Lys Asp Gly Thr
Lys Asp Ser Ala
Lys Asp Thr Gly
Lys Glu Gly Ser
Lys Glu Ser Gly
Lys Gly Cys Ile
C17H33N5O5S (419.22022880000003)
Lys Gly Cys Leu
C17H33N5O5S (419.22022880000003)
Lys Gly Asp Thr
Lys Gly Glu Ser
Lys Gly Ile Cys
C17H33N5O5S (419.22022880000003)
Lys Gly Leu Cys
C17H33N5O5S (419.22022880000003)
Lys Gly Ser Glu
Lys Gly Thr Asp
Lys Ile Cys Gly
C17H33N5O5S (419.22022880000003)
Lys Ile Gly Cys
C17H33N5O5S (419.22022880000003)
Lys Leu Cys Gly
C17H33N5O5S (419.22022880000003)
Lys Leu Gly Cys
C17H33N5O5S (419.22022880000003)
Lys Met Ala Ala
C17H33N5O5S (419.22022880000003)
Lys Ser Ala Asp
Lys Ser Asp Ala
Lys Ser Glu Gly
Lys Ser Gly Glu
Lys Ser Ser Val
Lys Ser Val Ser
Lys Thr Ala Thr
Lys Thr Asp Gly
Lys Thr Gly Asp
Lys Thr Thr Ala
Lys Val Ala Cys
C17H33N5O5S (419.22022880000003)
Lys Val Cys Ala
C17H33N5O5S (419.22022880000003)
Lys Val Ser Ser
Leu Cys Gly Lys
C17H33N5O5S (419.22022880000003)
Leu Cys Lys Gly
C17H33N5O5S (419.22022880000003)
Leu Gly Cys Lys
C17H33N5O5S (419.22022880000003)
Leu Gly Lys Cys
C17H33N5O5S (419.22022880000003)
Leu Lys Cys Gly
C17H33N5O5S (419.22022880000003)
Leu Lys Gly Cys
C17H33N5O5S (419.22022880000003)
Leu Asn Ser Ser
Leu Ser Asn Ser
Leu Ser Ser Asn
Met Ala Ala Lys
C17H33N5O5S (419.22022880000003)
Met Ala Lys Ala
C17H33N5O5S (419.22022880000003)
Met Gly Gly Arg
C15H29N7O5S (419.19507840000006)
Met Gly Arg Gly
C15H29N7O5S (419.19507840000006)
Met Lys Ala Ala
C17H33N5O5S (419.22022880000003)
Met Arg Gly Gly
C15H29N7O5S (419.19507840000006)
Asn Ile Ser Ser
Asn Leu Ser Ser
Asn Ser Ile Ser
Asn Ser Leu Ser
Asn Ser Ser Ile
Asn Ser Ser Leu
Asn Ser Thr Val
Asn Ser Val Thr
Asn Thr Ser Val
Asn Thr Val Ser
Asn Val Ser Thr
Asn Val Thr Ser
Gln Ala Thr Thr
Gln Ser Ser Val
Gln Ser Val Ser
Gln Thr Ala Thr
Gln Thr Thr Ala
Gln Val Ser Ser
Arg Ala Ala Cys
C15H29N7O5S (419.19507840000006)
Arg Ala Cys Ala
C15H29N7O5S (419.19507840000006)
Arg Ala Ser Ser
Arg Cys Ala Ala
C15H29N7O5S (419.19507840000006)
Arg Gly Gly Met
C15H29N7O5S (419.19507840000006)
Arg Gly Met Gly
C15H29N7O5S (419.19507840000006)
Arg Gly Ser Thr
Arg Gly Thr Ser
Arg Met Gly Gly
C15H29N7O5S (419.19507840000006)
Arg Ser Ala Ser
Arg Ser Gly Thr
Arg Ser Ser Ala
Arg Ser Thr Gly
Arg Thr Gly Ser
Arg Thr Ser Gly
Ser Ala Lys Asp
Ser Ala Arg Ser
Ser Ala Ser Arg
Ser Asp Lys Ala
Ser Glu Gly Lys
Ser Glu Lys Gly
Ser Gly Glu Lys
Ser Gly Lys Glu
Ser Gly Arg Thr
Ser Gly Thr Arg
Ser Ile Asn Ser
Ser Ile Ser Asn
Ser Lys Ala Asp
Ser Lys Asp Ala
Ser Lys Glu Gly
Ser Lys Gly Glu
Ser Lys Ser Val
Ser Lys Val Ser
Ser Leu Asn Ser
Ser Leu Ser Asn
Ser Asn Ile Ser
Ser Asn Leu Ser
Ser Asn Ser Ile
Ser Asn Ser Leu
Ser Asn Thr Val
Ser Asn Val Thr
Ser Gln Ser Val
Ser Gln Val Ser
Ser Arg Ala Ser
Ser Arg Gly Thr
Ser Arg Ser Ala
Ser Arg Thr Gly
Ser Ser Ala Arg
Ser Ser Ile Asn
Ser Ser Lys Val
Ser Ser Leu Asn
Ser Ser Asn Ile
Ser Ser Asn Leu
Ser Ser Gln Val
Ser Ser Arg Ala
Ser Ser Val Lys
Ser Ser Val Gln
Ser Thr Gly Arg
Ser Thr Asn Val
Ser Thr Arg Gly
Ser Thr Val Asn
Ser Val Lys Ser
Ser Val Asn Thr
Ser Val Gln Ser
Ser Val Ser Lys
Ser Val Ser Gln
Ser Val Thr Asn
Thr Ala Lys Thr
Thr Ala Gln Thr
Thr Ala Thr Lys
Thr Ala Thr Gln
Thr Asp Gly Lys
Thr Asp Lys Gly
Thr Gly Asp Lys
Thr Gly Lys Asp
Thr Gly Arg Ser
Thr Gly Ser Arg
Thr Lys Ala Thr
Thr Lys Asp Gly
Thr Lys Gly Asp
Thr Lys Thr Ala
Thr Asn Ser Val
Thr Asn Val Ser
Thr Gln Ala Thr
Thr Gln Thr Ala
Thr Arg Gly Ser
Thr Arg Ser Gly
Thr Ser Gly Arg
Thr Ser Asn Val
Thr Ser Arg Gly
Thr Ser Val Asn
Thr Thr Ala Lys
Thr Thr Ala Gln
Thr Thr Lys Ala
Thr Thr Gln Ala
Thr Val Asn Ser
Thr Val Ser Asn
Val Ala Cys Lys
C17H33N5O5S (419.22022880000003)
Val Ala Lys Cys
C17H33N5O5S (419.22022880000003)
Val Cys Ala Lys
C17H33N5O5S (419.22022880000003)
Val Cys Lys Ala
C17H33N5O5S (419.22022880000003)
Val Lys Ala Cys
C17H33N5O5S (419.22022880000003)
Val Lys Cys Ala
C17H33N5O5S (419.22022880000003)
Val Lys Ser Ser
Val Asn Ser Thr
Val Asn Thr Ser
Val Gln Ser Ser
Val Ser Lys Ser
Val Ser Asn Thr
Val Ser Gln Ser
Val Ser Ser Lys
Val Ser Ser Gln
Val Ser Thr Asn
Val Thr Asn Ser
Val Thr Ser Asn
L-902,688
C21H27F2N5O2 (419.21327060000004)
icas#1
A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from (6R)-6-hydroxyheptanoic acid. It is a metabolite of the nematode Caenorhabditis elegans.
icos#1
A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from 7-hydroxyheptanoic acid. It is a metabolite of the nematode Caenorhabditis elegans.
3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)-1H-indole
dicyclohexyl-[2-(2-methoxyphenyl)indol-1-yl]phosphane
C27H34NOP (419.23778840000006)
2-Methyl-4-(N-ethyl-N-benzyl)aminobenzoaldehyde-1,1-diphenylhydrazone
(2S,4S)-4-AMINO-1,2-PYRROLIDINEDICARBOXYLICACID1-(1,1-DIMETHYLETHYL)2-METHYLESTER
C26H29NO4 (419.20964740000005)
E 2012
D004791 - Enzyme Inhibitors > D000091062 - Gamma Secretase Inhibitors and Modulators
(R)-(1-methyl-2-tritylisoindolin-5-yl)boronic acid
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-9-(2-naphthalenyl)carbazole
BUTYLACRYLATE-STYRENE-METHYLOLACRYLAMIDE-METHACRYLICACID
C23H33NO6 (419.23077580000006)
PF-477736
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
{(3s)-1-[5-(Cyclohexylcarbamoyl)-6-(Propylsulfanyl)pyridin-2-Yl]piperidin-3-Yl}acetic Acid
C22H33N3O3S (419.22425080000005)
C471 - Enzyme Inhibitor
(6R)-6-[[3,6-Dideoxy-4-O-(1H-indol-3-ylcarbonyl)-alpha-L-arabino-hexopyranosyl]oxy]heptanoic acid
7-[[3,6-Dideoxy-4-O-(1H-indol-3-ylcarbonyl)-alpha-L-arabino-hexopyranosyl]oxy]heptanoic acid
Acetamide, N-[2-[(2-aminoethyl)methylamino]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]-
3-[2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
(2,2-Diphosphonoethyl)(Dodecyl)dimethylphosphonium
(3Z)-3-[(2E,4E,6R)-1-hydroxy-6-[(2S,5R,7R,8R)-5-hydroxy-1,2,7-trimethyl-3,9,10-trioxatricyclo[4.3.1.02,4]decan-8-yl]-4-methylhepta-2,4-dienylidene]pyrrolidine-2,4-dione
3-[5-[(Z)-[(5Z)-4-ethenyl-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-3-methylpyrrol-2-ylidene]methyl]-2-hydroxy-4-methyl-1H-pyrrol-3-yl]propanoic acid
(3E)-1-[1-(4-Fluorophenyl)ethyl]-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one
2-[(Z)-[17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-ylidene]amino]oxyacetic acid
C23H33NO6 (419.23077580000006)
ancistrotanzanine B
C26H29NO4 (419.20964740000005)
An isoquinoline alkaloid that is (3S)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinoline substituted by a 4,5-dimethoxy-7-methylnaphthalen-1-yl group at position 5. It is isolated from the leaves of Ancistrocladus tanzaniensis and exhibits antiplasmodial, antileishmanial and antitrypanocidal activities.
2-[[2-(3,4-Dimethoxyphenyl)-5-methyl-4-oxazolyl]methylthio]-1-(4-ethyl-1-piperazinyl)ethanone
C21H29N3O4S (419.1878674000001)
N-[4-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]phenyl]-2-(3-methylphenoxy)acetamide
3-[1-[[1-(4-Methoxyphenyl)cyclopropyl]-oxomethyl]-4-piperidinyl]-5-phenyl-1,3,4-oxadiazol-2-one
N-[2-(4-morpholinyl)ethyl]-2-(4-propan-2-yloxyphenyl)-4-quinolinecarboxamide
C25H29N3O3 (419.22088040000006)
N-cycloheptyl-2-[[2-(1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]benzamide
Butyl 3-amino-12,12-dimethyl-8-morpholin-4-yl-11-oxa-5-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraene-4-carboxylate
C21H29N3O4S (419.1878674000001)
3-(3,3-Dimethylcyclobutyl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide
C21H29N3O6 (419.20562540000003)
N-(cyclohexylmethyl)-2-[(2S,3R,6R)-3-[[(3-fluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide
[1-[3-(4-Fluorophenoxy)propyl]-4-piperidinyl]-diphenylmethanol
(2S,3S,4R)-2-cyano-N-cyclohexyl-4-(hydroxymethyl)-3-[4-(4-methoxyphenyl)phenyl]azetidine-1-carboxamide
C25H29N3O3 (419.22088040000006)
N-(cyclohexylmethyl)-2-[(2R,3S,6S)-3-[(3-fluorophenyl)carbamoylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide
N-(cyclohexylmethyl)-2-[(2S,3S,6R)-3-[[(3-fluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide
N-(cyclohexylmethyl)-2-[(2S,3S,6S)-3-[[(3-fluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide
C21H29N3O6 (419.20562540000003)
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]oxan-3-yl]-1,3-benzodioxole-5-carboxamide
C21H29N3O6 (419.20562540000003)
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide
C21H29N3O6 (419.20562540000003)
(2S,3R,4R)-2-cyano-N-cyclohexyl-4-(hydroxymethyl)-3-[4-(4-methoxyphenyl)phenyl]-1-azetidinecarboxamide
C25H29N3O3 (419.22088040000006)
(2S,3S,3aR,9bR)-7-(1-cyclopentenyl)-3-(hydroxymethyl)-6-oxo-N-[(1R)-1-phenylethyl]-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide
C25H29N3O3 (419.22088040000006)
(2S,3S,3aR,9bR)-3-(hydroxymethyl)-7-[(E)-2-phenylethenyl]-2-(piperidine-1-carbonyl)-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizin-6-one
C25H29N3O3 (419.22088040000006)
N-(cyclohexylmethyl)-2-[(2R,3R,6S)-3-[[(3-fluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide
N-(cyclohexylmethyl)-2-[(2R,3R,6R)-3-[[(3-fluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide
C21H29N3O6 (419.20562540000003)
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]oxan-3-yl]-1,3-benzodioxole-5-carboxamide
C21H29N3O6 (419.20562540000003)
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]oxan-3-yl]-1,3-benzodioxole-5-carboxamide
C21H29N3O6 (419.20562540000003)
(2S,3S,4S)-2-cyano-N-cyclohexyl-4-(hydroxymethyl)-3-[4-(4-methoxyphenyl)phenyl]-1-azetidinecarboxamide
C25H29N3O3 (419.22088040000006)
(2R,3R,3aS,9bS)-7-(1-cyclopentenyl)-3-(hydroxymethyl)-6-oxo-N-[(1R)-1-phenylethyl]-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide
C25H29N3O3 (419.22088040000006)
(2R,3R,3aS,9bS)-7-(1-cyclopentenyl)-3-(hydroxymethyl)-6-oxo-N-[(1S)-1-phenylethyl]-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide
C25H29N3O3 (419.22088040000006)
(2S,3S,3aR,9bR)-7-(cyclopenten-1-yl)-3-(hydroxymethyl)-6-oxo-N-[(1S)-1-phenylethyl]-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide
C25H29N3O3 (419.22088040000006)
(1R,9S,10S,11S)-12-(cyclopropylmethyl)-11-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-10-(hydroxymethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one
C25H29N3O3 (419.22088040000006)
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide
C21H29N3O6 (419.20562540000003)
(2R,3S,4R)-2-cyano-N-cyclohexyl-4-(hydroxymethyl)-3-[4-(4-methoxyphenyl)phenyl]-1-azetidinecarboxamide
C25H29N3O3 (419.22088040000006)
1-[(1R,2aR,8bR)-4-[cyclohexyl(oxo)methyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-(2-pyridinyl)ethanone
C25H29N3O3 (419.22088040000006)
(1S,9R,10R,11R)-12-(cyclopropylmethyl)-11-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-10-(hydroxymethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one
C25H29N3O3 (419.22088040000006)
[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]yl]-phenylmethanone
C25H29N3O3 (419.22088040000006)
(6S,7R,8R)-8-(hydroxymethyl)-2-oxo-7-[4-[(E)-2-phenylethenyl]phenyl]-N-propan-2-yl-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
C25H29N3O3 (419.22088040000006)
(6R,7S,8S)-8-(hydroxymethyl)-2-oxo-7-[4-[(E)-2-phenylethenyl]phenyl]-N-propan-2-yl-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
C25H29N3O3 (419.22088040000006)
cyclohexyl-[(2R,3S)-2-(hydroxymethyl)-1-[oxo(3-pyridinyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]methanone
C25H29N3O3 (419.22088040000006)
cyclohexyl-[(2S,3S)-2-(hydroxymethyl)-1-[oxo(3-pyridinyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]methanone
C25H29N3O3 (419.22088040000006)
N-(cyclohexylmethyl)-2-[(2S,3R,6S)-3-[[(3-fluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide
N-(cyclohexylmethyl)-2-[(2R,3S,6R)-3-[[(3-fluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide
(2R,3R,4R)-2-cyano-N-cyclohexyl-4-(hydroxymethyl)-3-[4-(4-methoxyphenyl)phenyl]-1-azetidinecarboxamide
C25H29N3O3 (419.22088040000006)
1-[(1R,2aS,8bS)-4-[cyclohexyl(oxo)methyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-(2-pyridinyl)ethanone
C25H29N3O3 (419.22088040000006)
1-[(1S,2aS,8bS)-4-[cyclohexyl(oxo)methyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-(2-pyridinyl)ethanone
C25H29N3O3 (419.22088040000006)
1-[(1S)-1-(hydroxymethyl)-7-methoxy-1,9-dimethyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]-2-phenylethanone
C25H29N3O3 (419.22088040000006)
1-[(1R)-1-(hydroxymethyl)-7-methoxy-1,9-dimethyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]-2-phenylethanone
C25H29N3O3 (419.22088040000006)
[(1R)-1-(hydroxymethyl)-7-methoxy-1-methyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]yl]-phenylmethanone
C25H29N3O3 (419.22088040000006)
[(1S)-1-(hydroxymethyl)-7-methoxy-1-methyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]yl]-phenylmethanone
C25H29N3O3 (419.22088040000006)
(6S,7S,8S)-8-(hydroxymethyl)-2-oxo-7-[4-[(E)-2-phenylethenyl]phenyl]-N-propan-2-yl-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
C25H29N3O3 (419.22088040000006)
(6S,7S,8R)-8-(hydroxymethyl)-2-oxo-7-[4-[(E)-2-phenylethenyl]phenyl]-N-propan-2-yl-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
C25H29N3O3 (419.22088040000006)
(6R,7R,8R)-8-(hydroxymethyl)-2-oxo-7-[4-[(E)-2-phenylethenyl]phenyl]-N-propan-2-yl-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
C25H29N3O3 (419.22088040000006)
(6R,7R,8S)-8-(hydroxymethyl)-2-oxo-7-[4-[(E)-2-phenylethenyl]phenyl]-N-propan-2-yl-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
C25H29N3O3 (419.22088040000006)
cyclohexyl-[(2R,3R)-2-(hydroxymethyl)-1-[oxo(3-pyridinyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]methanone
C25H29N3O3 (419.22088040000006)
cyclohexyl-[(2S,3R)-2-(hydroxymethyl)-1-[oxo(3-pyridinyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]methanone
C25H29N3O3 (419.22088040000006)
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-3-spiro[4H-isoquinoline-3,1-cyclopentane]-1-ylpropanamide
sodium;[(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
C21H32NaO5S+ (419.18680420000004)
ACT-333679
C25H29N3O3 (419.22088040000006)
A member of the class of pyrazines that is {4-[(propan-2-yl)(pyrazin-2-yl)amino]butoxy}acetic acid carrying two additional phenyl substituents at positions 5 and 6 on the pyrazine ring. The active metabolite of selexipag, an orphan drug used for the treatment of pulmonary arterial hypertension.
5-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinoline
C26H29NO4 (419.20964740000005)
5-hydroxy-4-(1-hydroxy-6-{5-hydroxy-1,2,7-trimethyl-3,9,10-trioxatricyclo[4.3.1.0²,⁴]decan-8-yl}-4-methylhepta-2,4-dien-1-ylidene)-2h-pyrrol-3-one
5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-8-methoxy-1,2,3-trimethyl-3,4-dihydroisoquinolin-6-one
C26H29NO4 (419.20964740000005)
(1r,3r,4s,7s,8s,11s)-3-ethyl-7-methyl-11-[(2s,4s)-4-methyl-5-oxooxolan-2-yl]-2,5-dioxa-12-azatetracyclo[10.4.1.0¹,³.0⁴,⁸]heptadecane-6,9,17-trione
(2e)-n-[2-(4-{[(2e)-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)ethyl]-3-methanesulfonyl-n-methylprop-2-enamide
C23H33NO4S (419.2130178000001)
7- O- methylhayatidine
C26H29NO4 (419.20964740000005)
{"Ingredient_id": "HBIN013409","Ingredient_name": "7- O- methylhayatidine","Alias": "NA","Ingredient_formula": "C26H29NO4","Ingredient_Smile": "CC1CC2=C(C(=CC(=C2C(=N1)C)OC)OC)C3=C4C=CC=C(C4=C(C=C3C)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37328","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
ancistrocladisine
C26H29NO4 (419.20964740000005)
{"Ingredient_id": "HBIN015991","Ingredient_name": "ancistrocladisine","Alias": "NA","Ingredient_formula": "C26H29NO4","Ingredient_Smile": "CC1CC2=CC(=C(C(=C2C(=N1)C)OC)C3=C4C=CC=C(C4=C(C=C3C)OC)OC)OC","Ingredient_weight": "419.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1143","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "14287488","DrugBank_id": "NA"}
5-hydroxy-3-{[1-hydroxy-3-(2-methylbut-3-en-2-yl)-2-oxoindol-3-yl]methyl}-1-methyl-3h-1,4-benzodiazepin-2-one
(1s,4e,9r)-6-hydroxy-4-(3h-imidazol-4-ylmethylidene)-7-methoxy-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one
(2e,4e)-n-{5,6'-dihydroxy-3h-4',8'-dioxaspiro[furan-2,2'-tricyclo[5.1.0.0³,⁵]octan]-4-yl}-4,6-dimethyldodeca-2,4-dienimidic acid
C23H33NO6 (419.23077580000006)
(2e,4e,6r)-n-[(1's,3'r,4s,5r,5's,7'r)-5-hydroxy-6'-oxo-4',8'-dioxaspiro[oxolane-2,2'-tricyclo[5.1.0.0³,⁵]octan]-4-yl]-4,6-dimethyldodeca-2,4-dienimidic acid
C23H33NO6 (419.23077580000006)
3-[(3r,5s)-5-hydroxy-3-(phenylamino)-1-(phenylimino)hexyl]-5-(propan-2-ylidene)pyrrole-2,4-diol
C25H29N3O3 (419.22088040000006)
6-hydroxy-4-(1h-imidazol-4-ylmethylidene)-16-methoxy-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one
(3s)-5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinoline
C26H29NO4 (419.20964740000005)
3-ethyl-7-methyl-11-(4-methyl-5-oxooxolan-2-yl)-2,5-dioxa-12-azatetracyclo[10.4.1.0¹,³.0⁴,⁸]heptadecane-6,9,17-trione
(4s,5r,7r,11z,14s)-4-hydroxy-5,7,11-trimethyl-14-[(1e)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclotetradec-11-ene-2,6-dione
C23H33NO4S (419.2130178000001)
(3r)-7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinoline
C26H29NO4 (419.20964740000005)
(2e,4e)-n-{5-hydroxy-6'-oxo-4',8'-dioxaspiro[oxolane-2,2'-tricyclo[5.1.0.0³,⁵]octan]-4-yl}-4,6-dimethyldodeca-2,4-dienimidic acid
C23H33NO6 (419.23077580000006)
5-(1,4-dihydroxycyclohexyl)-1,4-dihydroxy-3-[(2e,4e,6e)-8-(hydroxymethyl)deca-2,4,6-trienoyl]pyridin-2-one
(7r,8r,13r)-8,9-dihydroxy-7-phenyl-1,6,10-triazatricyclo[11.9.0.0¹⁴,¹⁹]docosa-9,14,16,18,20-pentaen-22-one
C25H29N3O3 (419.22088040000006)
(4z)-5-hydroxy-4-[(2e,4e,6r)-1-hydroxy-6-[(1s,2s,4s,5r,6s,7r,8r)-5-hydroxy-1,2,7-trimethyl-3,9,10-trioxatricyclo[4.3.1.0²,⁴]decan-8-yl]-4-methylhepta-2,4-dien-1-ylidene]-2h-pyrrol-3-one
n-(2-{4-[(3,7-dimethylocta-2,6-dien-1-yl)oxy]phenyl}ethyl)-3-methanesulfonyl-n-methylprop-2-enamide
C23H33NO4S (419.2130178000001)
8,9-dihydroxy-7-phenyl-1,6,10-triazatricyclo[11.9.0.0¹⁴,¹⁹]docosa-9,14,16,18,20-pentaen-22-one
C25H29N3O3 (419.22088040000006)
n-{5-hydroxy-6'-oxo-4',8'-dioxaspiro[oxolane-2,2'-tricyclo[5.1.0.0³,⁵]octan]-4-yl}-4,6-dimethyldodeca-2,4-dienimidic acid
C23H33NO6 (419.23077580000006)
3-[5-hydroxy-3-(phenylamino)-1-(phenylimino)hexyl]-5-(propan-2-ylidene)pyrrole-2,4-diol
C25H29N3O3 (419.22088040000006)
methyl (1r,5s,8s,11s,12r,15r,17r)-8-hydroxy-3-methyl-9-oxo-15-(3-oxopentyl)-13-oxa-3-azapentacyclo[9.4.2.0¹,¹².0⁵,¹⁵.0⁸,¹²]heptadecane-17-carboxylate
C23H33NO6 (419.23077580000006)
5-(2-hydroxy-4-{[(2e)-1-hydroxy-4,6,8-trimethylnona-2,7-dien-1-ylidene]amino}-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl)pentanoic acid
C23H33NO6 (419.23077580000006)
6-hydroxy-4-(1h-imidazol-4-ylmethylidene)-7-methoxy-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one
3-[(3s,5s)-5-hydroxy-3-(phenylamino)-1-(phenylimino)hexyl]-5-(propan-2-ylidene)pyrrole-2,4-diol
C25H29N3O3 (419.22088040000006)
(2e,4e,6r)-n-[(1's,3'r,5's,7'r)-5-hydroxy-6'-oxo-4',8'-dioxaspiro[oxolane-2,2'-tricyclo[5.1.0.0³,⁵]octan]-4-yl]-4,6-dimethyldodeca-2,4-dienimidic acid
C23H33NO6 (419.23077580000006)