HSD17B13-IN-68
HIT218848253
sdf文件结构编辑类似物检索
HIT ID: HIT218848253
Cas No: 3004660-61-8
分子式: C23H20N6O3S
分子量: 460.51
常用名: HSD17B13-IN-68
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 5-(2-cyclopropyl-4-methoxyphenyl)-10-hydroxy-4-[(2-methyl-2H-1,2,3,4-tetrazol-5-yl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5,10,12-pentaen-3-one
IUPAC: 5-(2-cyclopropyl-4-methoxyphenyl)-10-hydroxy-4-[(2-methyl-2H-1,2,3,4-tetrazol-5-yl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5,10,12-pentaen-3-one
SMILES: COc1ccc(c(c1)C1CC1)-c1nc2sc3c(O)cccc3c2c(=O)n1Cc1nnn(C)n1
SMILES: COc1ccc(c(c1)C1CC1)-c1nc2sc3c(O)cccc3c2c(=O)n1Cc1nnn(C)n1
InChI key: KUQVOBSULBSULQ-UHFFFAOYSA-N
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