BRD0476
HIT212712318
sdf文件结构编辑类似物检索
HIT ID: HIT212712318
Cas No: 1314958-91-2
分子式: C35H38N4O8S
分子量: 674.77
常用名: BRD0476
氢键受体数 (HBA): 8
氢键供体数 (HBD): 3
LogP: 3.7706878
IUPAC: 1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[(N-methyl2,3-dihydro-1,4-benzodioxine-6-sulfonamido)methyl]-6-oxo-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-10-yl]-3-(naphthalen-1-yl)urea
IUPAC: 1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[(N-methyl2,3-dihydro-1,4-benzodioxine-6-sulfonamido)methyl]-6-oxo-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-10-yl]-3-(naphthalen-1-yl)urea
SMILES: C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc3OCCOc3c2)Oc2c(NC(=O)Nc3cccc4ccccc34)cccc2C1=O
SMILES: C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc3OCCOc3c2)Oc2c(NC(=O)Nc3cccc4ccccc34)cccc2C1=O
InChI key: YDFFDCBBGWXONN-MODXFSQWSA-N
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