Tuspetinib hydrate
HIT218849074
sdf文件结构编辑类似物检索
HIT ID: HIT218849074
Cas No: 2758339-04-5
分子式: C29H35ClN6O
分子量: 519.09
常用名: Tuspetinib hydrate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 5-chloro-N-(3-cyclopropyl-5-{[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl}phenyl)-4-(6-methyl-1H-indol-3-yl)pyrimidin-2-amine hydrate
IUPAC: 5-chloro-N-(3-cyclopropyl-5-{[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl}phenyl)-4-(6-methyl-1H-indol-3-yl)pyrimidin-2-amine hydrate
SMILES: O.C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)C[C@@H](C)N1
SMILES: O.C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)C[C@@H](C)N1
InChI key: ZBXHRUUVJWPXCW-AQDIUKAZSA-N
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