JWG-071
HIT212669456
sdf文件结构编辑类似物检索
HIT ID: HIT212669456
Cas No: 2250323-50-1
分子式: C34H44N8O3
分子量: 612.779
常用名: JWG-071
氢键受体数 (HBA): 9
氢键供体数 (HBD): 1
LogP: 3.719364
IUPAC: 2-(butan-2-yl)-5-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-9-methyl-2,4,6,9-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-10-one
IUPAC: 2-(butan-2-yl)-5-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-9-methyl-2,4,6,9-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-10-one
SMILES: CCC(C)N1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3OC)C(=O)N3CCC(CC3)N3CCN(C)CC3)nc12
SMILES: CCC(C)N1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3OC)C(=O)N3CCC(CC3)N3CCN(C)CC3)nc12
InChI key: ACWOMSOYIIVIRV-UHFFFAOYSA-N
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