HIT ID: HIT214323509
Cas No: 2447066-00-2
分子式: C37H35ClN2O6
分子量: 639.15
常用名: BMS-1166-N-piperidine-COOH
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 1-({5-chloro-2-[(3-cyanophenyl)methoxy]-4-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy}phenyl}methyl)piperidine-2-carboxylic acid
IUPAC: 1-({5-chloro-2-[(3-cyanophenyl)methoxy]-4-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy}phenyl}methyl)piperidine-2-carboxylic acid
SMILES: Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CCCCC3C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1
SMILES: Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CCCCC3C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1
InChI key: RELGDHKISWTSBN-UHFFFAOYSA-N
