Enzastaurin HCl
HIT212087435
sdf文件结构编辑类似物检索
HIT ID: HIT212087435
Cas No: 359017-79-1
分子式: C32H30ClN5O2
分子量: 552.08
常用名: Enzastaurin HCl
氢键受体数 (HBA): 4
氢键供体数 (HBD): 1
LogP: 3.8548093
IUPAC: 3-(1-methyl-1H-indol-3-yl)-4-(1-{1-[(pyridin-2-yl)methyl]piperidin-4-yl}-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione hydrochloride
IUPAC: 3-(1-methyl-1H-indol-3-yl)-4-(1-{1-[(pyridin-2-yl)methyl]piperidin-4-yl}-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione hydrochloride
SMILES: Cl.Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
SMILES: Cl.Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
InChI key: UUADYKVKJIMIPA-UHFFFAOYSA-N
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