H3B-6527
HIT212019486
sdf文件结构编辑类似物检索
HIT ID: HIT212019486
Cas No: 1702259-66-2
分子式: C29H34Cl2N8O4
分子量: 629.54
常用名: H3B-6527
氢键受体数 (HBA): 9
氢键供体数 (HBD): 3
LogP: 4.7886853
IUPAC: N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-5-(4-ethylpiperazin-1-yl)phenyl}prop-2-enamide
IUPAC: N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-5-(4-ethylpiperazin-1-yl)phenyl}prop-2-enamide
SMILES: CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)c(NC(=O)C=C)c1
SMILES: CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)c(NC(=O)C=C)c1
InChI key: MBWRLLRCTIYXDW-UHFFFAOYSA-N
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