CXCR7 modulator 1
HIT212666942
sdf文件结构编辑类似物检索
HIT ID: HIT212666942
Cas No: 2231812-31-8
分子式: C48H57F2N7O7S
分子量: 914.08
常用名: CXCR7 modulator 1
氢键受体数 (HBA): 8
氢键供体数 (HBD): 4
LogP: 4.3276863
IUPAC: (6S,9R,12S,15S,20aR)-9-benzyl-6-[(benzyloxy)methyl]-2-[3-(2,4-difluorophenyl)propyl]-12-(2,2-dimethylpropyl)-15-[(1,3-thiazol-4-yl)methyl]-icosahydropyrrolo[1,2-a]1,4,7,10,13,16-hexaazacyclooctadecane-1,4,7,10,13,16-hexone
IUPAC: (6S,9R,12S,15S,20aR)-9-benzyl-6-[(benzyloxy)methyl]-2-[3-(2,4-difluorophenyl)propyl]-12-(2,2-dimethylpropyl)-15-[(1,3-thiazol-4-yl)methyl]-icosahydropyrrolo[1,2-a]1,4,7,10,13,16-hexaazacyclooctadecane-1,4,7,10,13,16-hexone
SMILES: CC(C)(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](COCc2ccccc2)NC(=O)CN(CCCc2ccc(F)cc2F)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cscn2)NC1=O
SMILES: CC(C)(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](COCc2ccccc2)NC(=O)CN(CCCc2ccc(F)cc2F)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cscn2)NC1=O
InChI key: ONBLFYRZNQPUFU-UNWHFORBSA-N
共显示2个结果
供应商规格单价货期纯度操作
TargetMol
SC
12800 购物车
Mcule
SC
32944-5周 购物车
TargetMol | Target Loading
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