WYE-687
HIT212655020
sdf文件结构编辑类似物检索
HIT ID: HIT212655020
Cas No: 1062161-90-3
分子式: C28H32N8O3
分子量: 528.617
常用名: WYE-687
氢键受体数 (HBA): 9
氢键供体数 (HBD): 1
LogP: 3.189829
IUPAC: methyl N-{4-[4-(morpholin-4-yl)-1-{1-[(pyridin-3-yl)methyl]piperidin-4-yl}-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl}carbamate
IUPAC: methyl N-{4-[4-(morpholin-4-yl)-1-{1-[(pyridin-3-yl)methyl]piperidin-4-yl}-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl}carbamate
SMILES: COC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1
SMILES: COC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1
InChI key: VDOCQQKGPJENHJ-UHFFFAOYSA-N
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