BRD-IN-3
HIT212671117
sdf文件结构编辑类似物检索
HIT ID: HIT212671117
Cas No: 2351938-32-2
分子式: C21H25N5O3
分子量: 395.463
常用名: BRD-IN-3
氢键受体数 (HBA): 6
氢键供体数 (HBD): 2
LogP: 1.4943507
IUPAC: 2-{[(3R,5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpiperidin-3-yl]amino}-3-methyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one
IUPAC: 2-{[(3R,5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpiperidin-3-yl]amino}-3-methyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one
SMILES: CN1C[C@@H](C[C@@H](C1)c1ccc2OCCOc2c1)Nc1nc2cc[nH]c2c(=O)n1C
SMILES: CN1C[C@@H](C[C@@H](C1)c1ccc2OCCOc2c1)Nc1nc2cc[nH]c2c(=O)n1C
InChI key: PUFPGLSWMMJNSE-LSDHHAIUSA-N
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