PI3Kδ/BET-IN-1
HIT219250724
sdf文件结构编辑类似物检索
HIT ID: HIT219250724
Cas No: 3054869-10-9
分子式: C27H34N6O3S
分子量: 522.67
常用名: PI3Kδ/BET-IN-1
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 4-(6-{[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl}-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl)-6-methyl-1H,6H,7H-pyrrolo[2,3-c]pyridin-7-one
IUPAC: 4-(6-{[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl}-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl)-6-methyl-1H,6H,7H-pyrrolo[2,3-c]pyridin-7-one
SMILES: Cn1cc(-c2nc(N3CCOCC3)c3sc(CN4CCC(CC4)C(C)(C)O)cc3n2)c2cc[nH]c2c1=O
SMILES: Cn1cc(-c2nc(N3CCOCC3)c3sc(CN4CCC(CC4)C(C)(C)O)cc3n2)c2cc[nH]c2c1=O
InChI key: XOBSYLUTTSAWQU-UHFFFAOYSA-N
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