KRH-594 free acid
HIT214318486
sdf文件结构编辑类似物检索
HIT ID: HIT214318486
Cas No: 167006-13-5
分子式: C25H23N7O3S
分子量: 501.57
常用名: KRH-594 free acid
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-[(5-ethyl-3-{[2'-(1H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-2,3-dihydro-1,3,4-thiadiazol-2-ylidene)carbamoyl]cyclopent-1-ene-1-carboxylic acid
IUPAC: 2-[(5-ethyl-3-{[2'-(1H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-2,3-dihydro-1,3,4-thiadiazol-2-ylidene)carbamoyl]cyclopent-1-ene-1-carboxylic acid
SMILES: CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(=NC(=O)C2=C(CCC2)C(O)=O)s1 |w:24.27,t:30|
SMILES: CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(=NC(=O)C2=C(CCC2)C(O)=O)s1 |w:24.27,t:30|
InChI key: UFZKNCXXIFQTNB-UHFFFAOYSA-N
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