NVP-CGM097
HIT212034401
sdf文件结构编辑类似物检索
HIT ID: HIT212034401
Cas No: 1313363-54-0
分子式: C38H47ClN4O4
分子量: 659.27
常用名: NVP-CGM097
氢键受体数 (HBA): 6
氢键供体数 (HBD): 0
LogP: 5.9981375
IUPAC: (1S)-1-(4-chlorophenyl)-6-methoxy-2-{4-[methyl({[(1r,4r)-4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl]methyl})amino]phenyl}-7-(propan-2-yloxy)-1,2,3,4-tetrahydroisoquinolin-3-one
IUPAC: (1S)-1-(4-chlorophenyl)-6-methoxy-2-{4-[methyl({[(1r,4r)-4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl]methyl})amino]phenyl}-7-(propan-2-yloxy)-1,2,3,4-tetrahydroisoquinolin-3-one
SMILES: COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N1CCN(C)C(=O)C1 |wU:9.9,36.43,wD:33.36,(-10.61,4.13,;-9.28,4.9,;-7.95,4.13,;-6.61,4.9,;-5.28,4.13,;-3.94,4.9,;-2.61,4.13,;-1.28,4.9,;-2.61,2.59,;-3.94,1.82,;-3.94,.28,;-2.61,-.49,;-2.61,-2.03,;-3.94,-2.8,;-3.94,-4.34,;-5.28,-2.03,;-5.28,-.49,;-5.28,2.59,;-6.61,1.82,;-7.95,2.59,;-9.28,1.82,;-9.28,.28,;-7.95,-.49,;-10.61,-.49,;-1.28,1.82,;.06,2.59,;1.39,1.82,;1.39,.28,;.06,-.49,;-1.28,.28,;2.72,-.49,;2.72,-2.03,;4.06,.28,;5.39,-.49,;5.39,-2.03,;6.72,-2.8,;8.06,-2.03,;8.06,-.49,;6.72,.28,;9.39,-2.8,;10.73,-2.03,;12.06,-2.8,;12.06,-4.34,;13.39,-5.11,;10.73,-5.11,;10.73,-6.65,;9.39,-4.34,)|
SMILES: COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N1CCN(C)C(=O)C1 |wU:9.9,36.43,wD:33.36,(-10.61,4.13,;-9.28,4.9,;-7.95,4.13,;-6.61,4.9,;-5.28,4.13,;-3.94,4.9,;-2.61,4.13,;-1.28,4.9,;-2.61,2.59,;-3.94,1.82,;-3.94,.28,;-2.61,-.49,;-2.61,-2.03,;-3.94,-2.8,;-3.94,-4.34,;-5.28,-2.03,;-5.28,-.49,;-5.28,2.59,;-6.61,1.82,;-7.95,2.59,;-9.28,1.82,;-9.28,.28,;-7.95,-.49,;-10.61,-.49,;-1.28,1.82,;.06,2.59,;1.39,1.82,;1.39,.28,;.06,-.49,;-1.28,.28,;2.72,-.49,;2.72,-2.03,;4.06,.28,;5.39,-.49,;5.39,-2.03,;6.72,-2.8,;8.06,-2.03,;8.06,-.49,;6.72,.28,;9.39,-2.8,;10.73,-2.03,;12.06,-2.8,;12.06,-4.34,;13.39,-5.11,;10.73,-5.11,;10.73,-6.65,;9.39,-4.34,)|
InChI key: CLRSLRWKONPSRQ-IIPSPAQQSA-N
共显示3个结果
供应商规格单价货期纯度操作
TargetMol
SC
4771-3天98.92% 购物车
BIONET-Key Organics
BB
-3-5周点击询价
AA Blocks
BB
-3-5周点击询价
TargetMol | Target Loading
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