Exact Mass: 449.03749660000005
Exact Mass Matches: 449.03749660000005
Found 49 metabolites which its exact mass value is equals to given mass value 449.03749660000005,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
6-(Methylthio)hexyl glucosinolate
6-(Methylthio)hexyl glucosinolate is found in horseradish. 6-(Methylthio)hexyl glucosinolate is present in Arabidopsis thaliana and other crucifers. Present in Arabidopsis thaliana and other crucifers. 6-(Methylthio)hexyl glucosinolate is found in horseradish.
Cefoxitin sodium
C16H16N3NaO7S2 (449.03273459999997)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002513 - Cephamycins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Glucolesquerellin
http://casmi-contest.org/challenges-cat1-2.shtml; CASMI2012 LC Challenge 3
K-Ras(G12C) inhibitor 12
C15H17ClIN3O3 (449.00031520000005)
K-Ras(G12C) inhibitor 12 is a K-Ras(G12C) inhibitor. K-Ras(G12C) inhibitor 12 acts on H1792 cells with an EC50 of 0.32 μM.
2-[N-(2-Cyanoethyl)-4-[(2,6-dichloro-4-nitrophenyl)azo]anilino]ethyl acetate
C19H17Cl2N5O4 (449.0657542000001)
sodium 4-(2H-naphtho[1,2-d]triazol-2-yl)stilbene-2-sulphonate
C24H16N3NaO3S (449.08100260000003)
4-[(2,4-dichlorophenyl)azo]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide
Icr-191 dihydrochloride
2-[2-CHLORO-6-(2-PYRIDYLTHIO)-4-PYRIDYL]-4-[3-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOLE
Methanone, [4-(4-chlorophenyl)-1-piperazinyl][3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]-
Bederocin
C20H21BrFN3OS (449.05726480000004)
C254 - Anti-Infective Agent > C52588 - Antibacterial Agent
(4Z)-4-[(2,5-dichlorophenyl)hydrazinylidene]-N-(4-methylphenyl)-3-oxonaphthalene-2-carboxamide
1-Ethyl ester Methyl-3-Methylimidazolium bis(trifluoromethylsulfonyl)imide
4-[(7-oxo-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-ylidene)methylamino]-N-(2-pyridinyl)benzenesulfonamide
N-[2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]benzamide
C23H16ClN3O3S (449.0600856000001)
1-(4-Iodobenzoyl)-5-methoxy-2-methyl indole-3-acetic acid
4-[(7-Oxo-7h-thiazolo[5,4-e]indol-8-ylmethyl)-amino]-n-pyridin-2-yl-benzenesulfonamide
2-(5-Chloro-2-Thienyl)-N-{(3s)-1-[(1s)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}ethanesulfonamide
C17H24ClN3O5S2 (449.08458440000004)
(6-[4-(Aminomethyl)-2,6-dimethylphenoxy]-2-{[4-(aminomethyl)phenyl]amino}-5-bromopyrimidin-4-YL)methanol
1-(5-Carboxypentyl)-5-[(2,6-dichlorobenzyl)oxy]-1 H-indole-2-carboxylic acid
C22H21Cl2NO5 (449.07967160000004)
[[Amino-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]amino] 5-nitrouran-2-carboxylate
C19H13Cl2N3O6 (449.01813780000003)
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-7-methylsulfanyl-N-sulfooxyheptanimidothioate
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-7-methylsulfanyl-N-sulfooxyheptanimidothioate
N-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-1-naphthalenesulfonamide
C19H13F6NO3S (449.05203000000006)
5-(3-chlorophenyl)-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-2-furancarboxamide
C22H16ClN5O2S (449.07131860000004)
2-[(4-Chlorophenyl)methylthio]-5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazole
C20H20ClN3O3S2 (449.06345600000003)
5-(3-Bromophenyl)-2-furaldehyde [5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazone
5-[[5-Benzyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
methyl 5-[(E)-[(4-chlorophenyl)carbamothioylhydrazinylidene]methyl]-1-(2,4-difluorophenyl)pyrazole-4-carboxylate
C19H14ClF2N5O2S (449.0524758000001)
3-[[4-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]sulfonyl]benzonitrile
2-[[[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester
Adenosine 5-phosphosulfate (sodium salt)
C10H13N5NaO10PS (449.0018448000001)
4-(4-Bromobenzoyl)-5-pyridin-2-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
C22H16BrN3O3 (449.03749660000005)
Kobe0065
C15H11ClF3N5O4S (449.0172352000001)
Kobe0065 is a novel and effective inhibitor of Ras-Raf interaction, competitively inhibiting the binding of H-Ras·GTP to c-Raf-1 RBD with a Ki value of 46±13 μM.
MIPS521
C19H10ClF6NOS (449.00757920000007)
MIPS521 is a positive allosteric modulator of adenosine A1 receptor (A1AR). MIPS521 also has a lower A1R allosteric affinity (pKB=4.95; KB=11?μM). MIPS521 exhibits pain-relieving effects in vivo through modulation of the increased levels of endogenous adenosine[1][2].