TA-606
HIT212713771
sdf文件结构编辑类似物检索
HIT ID: HIT212713771
Cas No: 190602-72-3
分子式: C33H40ClN7O6
分子量: 666.18
常用名: TA-606
氢键受体数 (HBA): 8
氢键供体数 (HBD): 1
LogP: 3.4147553
IUPAC: {[(pentan-3-yloxy)carbonyl]oxy}methyl 5-acetyl-2-propyl-3-{[2'-(1H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxylate hydrochloride
IUPAC: {[(pentan-3-yloxy)carbonyl]oxy}methyl 5-acetyl-2-propyl-3-{[2'-(1H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxylate hydrochloride
SMILES: Cl.CCCc1nc2CCN(C(C(=O)OCOC(=O)OC(CC)CC)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(C)=O
SMILES: Cl.CCCc1nc2CCN(C(C(=O)OCOC(=O)OC(CC)CC)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(C)=O
InChI key: GEUFBLVOYZGVMX-UHFFFAOYSA-N
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