HIT ID: HIT212661634
Cas No: 2143096-93-7
分子式: C47H56ClF3N6O5S3
分子量: 973.63
常用名: Navitoclax-piperazine
氢键受体数 (HBA): 10
氢键供体数 (HBD): 3
LogP: 7.976898
IUPAC: 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-(4-{[(2R)-1-(phenylsulfanyl)-4-(piperazin-1-yl)butan-2-yl]amino}-3-trifluoromethanesulfonylbenzenesulfonyl)benzamide
IUPAC: 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-(4-{[(2R)-1-(phenylsulfanyl)-4-(piperazin-1-yl)butan-2-yl]amino}-3-trifluoromethanesulfonylbenzenesulfonyl)benzamide
SMILES: CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCNCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 |t:5|
SMILES: CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCNCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 |t:5|
InChI key: CRPNZDFOWRFBLZ-KXQOOQHDSA-N
