HSD17B13-IN-72
HIT218848258
sdf文件结构编辑类似物检索
HIT ID: HIT218848258
Cas No: 3004661-16-6
分子式: C25H21N3O3S2
分子量: 475.58
常用名: HSD17B13-IN-72
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 5-(2-cyclopropyl-4-methoxyphenyl)-10-hydroxy-4-[(2-methyl-1,3-thiazol-4-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-1,3-thiazol-4-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)n1Cc1csc(C)n1
SMILES: COc1ccc(c(c1)C1CC1)-c1nc2sc3c(O)cccc3c2c(=O)n1Cc1csc(C)n1
InChI key: QUHHKYJPNFTJGJ-UHFFFAOYSA-N
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