SH-053-S-CH3-2'F
HIT212713664
sdf文件结构编辑类似物检索
HIT ID: HIT212713664
Cas No: 872874-00-5
分子式: C23H18FN3O2
分子量: 387.414
常用名: SH-053-S-CH3-2'F
氢键受体数 (HBA): 3
氢键供体数 (HBD): 0
LogP: 4.3595767
IUPAC: ethyl (7S)-12-ethynyl-9-(2-fluorophenyl)-7-methyl-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),3,5,8,10,12-hexaene-5-carboxylate
IUPAC: ethyl (7S)-12-ethynyl-9-(2-fluorophenyl)-7-methyl-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),3,5,8,10,12-hexaene-5-carboxylate
SMILES: CCOC(=O)c1ncn-2c1[C@H](C)N=C(c1ccccc1F)c1cc(ccc-21)C#C |t:13|
SMILES: CCOC(=O)c1ncn-2c1[C@H](C)N=C(c1ccccc1F)c1cc(ccc-21)C#C |t:13|
InChI key: NGYKELBMVXBFSM-AWEZNQCLSA-N
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