WY-135
HIT212672207
sdf文件结构编辑类似物检索
HIT ID: HIT212672207
Cas No: 2163060-83-9
分子式: C28H34ClN9O3S
分子量: 612.15
常用名: WY-135
氢键受体数 (HBA): 11
氢键供体数 (HBD): 2
LogP: 4.1422048
IUPAC: 5-chloro-N2-(2-methoxy-4-{4-[(4-methylpiperazin-1-yl)methyl]-1H-1,2,3-triazol-1-yl}phenyl)-N4-[2-(propane-2-sulfonyl)phenyl]pyrimidine-2,4-diamine
IUPAC: 5-chloro-N2-(2-methoxy-4-{4-[(4-methylpiperazin-1-yl)methyl]-1H-1,2,3-triazol-1-yl}phenyl)-N4-[2-(propane-2-sulfonyl)phenyl]pyrimidine-2,4-diamine
SMILES: COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)-n1cc(CN2CCN(C)CC2)nn1
SMILES: COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)-n1cc(CN2CCN(C)CC2)nn1
InChI key: MYBIYOGYGXIDJG-UHFFFAOYSA-N
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