ammonium 2-{2-[(cyclopropanesulfonyl)azanidyl]-1,3-thiazol-4-yl}-2-methyl-N-{5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl}propanamide, CTP Synthetase-IN-1 Ammonium salt, CTP Synthetase 抑制剂 1 铵盐
HIT218833035
sdf文件结构编辑类似物检索
HIT ID: HIT218833035
Cas No:
分子式: C20H22F3N7O3S2
分子量: 529.56
常用名: ammonium 2-{2-[(cyclopropanesulfonyl)azanidyl]-1,3-thiazol-4-yl}-2-methyl-N-{5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl}propanamide, CTP Synthetase-IN-1 Ammonium salt, CTP Synthetase 抑制剂 1 铵盐
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: ammonium 2-{2-[(cyclopropanesulfonyl)azanidyl]-1,3-thiazol-4-yl}-2-methyl-N-{5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl}propanamide
SMILES: [NH4+].CC(C)(C(=O)Nc1ccc(cn1)-c1cncc(n1)C(F)(F)F)c1csc([N-]S(=O)(=O)C2CC2)n1
InChI key: HQAMAXTWFWIDJA-UHFFFAOYSA-N
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