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AGI-5198

PropertiesImage
MNX_IDMNXM819789 Image of MNXM819789
referencechebi:230488
formulaC27H31FN4O2
global charge0
mol weight462.569
InChIKeyFNYGWXSATBUBER-UHFFFAOYSA-N
InChIInChI=1S/C27H31FN4O2/c1-19-9-6-7-14-24(19)26(27(34)30-22-11-4-3-5-12-22)32(23-13-8-10-21(28)17-23)25(33)18-31-16-15-29-20(31)2/h6-10,13-17,22,26H,3-5,11-12,18H2,1-2H3,(H,30,34)
SMILESCC1=CC=CC=C1C(C(=O)NC1CCCCC1)N(C(=O)CN1C=CN=C1C)C1=CC(F)=CC=C1
MNX internals
InChI (mnx)InChI=1/C27H31FN4O2/c1-19-9-6-7-14-24(19)26(27(34)30-22-11-4-3-5-12-22)32(23-13-8-10-21(28)17-23)25(33)18-31-16-15-29-20(31)2/h6-10,13-17,22,26H,3-5,11-12,18H2,1-2H3,(H,30,34)/t26? Image of MNXM819789
SMILES (mnx)[CH3:1][C:19]1=[CH:9][CH:6]=[CH:7][CH:14]=[C:24]1[CH:26]([C:27](=[N:30][CH:22]1[CH2:11][CH2:4][CH2:3][CH2:5][CH2:12]1)[OH:34])[N:32]([C:23]1=[CH:13][CH:8]=[CH:10][C:21]([F:28])=[CH:17]1)[C:25]([CH2:18][N:31]1[CH:16]=[CH:15][N:29]=[C:20]1[CH3:2])=[O:33]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:230488
chebi:230488
FNYGWXSATBUBER-UHFFFAOYSA-N 		AGI-5198
IDH-C35

sabiork.compound:31258
sabiorkM:31258
FNYGWXSATBUBER-UHFFFAOYSA-N 		AGI-5198
N-Cyclohexyl-2-(3-fluoro-N-[2-(2-methylimidazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide