CYP3A4-IN-2
HIT214433488
sdf文件结构编辑类似物检索
HIT ID: HIT214433488
Cas No: 2562383-94-0
分子式: C33H38N4O3S
分子量: 570.75
常用名: CYP3A4-IN-2
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: tert-butyl N-[1-(naphthalen-1-yl)-3-{[2-(phenylamino)-2-{[(pyridin-3-yl)methyl]carbamoyl}ethyl]sulfanyl}propan-2-yl]carbamate
IUPAC: tert-butyl N-[1-(naphthalen-1-yl)-3-{[2-(phenylamino)-2-{[(pyridin-3-yl)methyl]carbamoyl}ethyl]sulfanyl}propan-2-yl]carbamate
SMILES: CC(C)(C)OC(=O)NC(CSCC(Nc1ccccc1)C(=O)NCc1cccnc1)Cc1cccc2ccccc12
SMILES: CC(C)(C)OC(=O)NC(CSCC(Nc1ccccc1)C(=O)NCc1cccnc1)Cc1cccc2ccccc12
InChI key: HETXCPWULXTMSC-UHFFFAOYSA-N
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