HIT ID: HIT212671214
Cas No: 2070015-03-9
分子式: C27H37Cl3N8O4
分子量: 644
常用名: CBB1007 trihydrochloride (1379573-92-8 free base)
常用名: CBB1007 trihydrochloride (1379573-92-8 free base)
氢键受体数 (HBA): 9
氢键供体数 (HBD): 4
LogP: 0.024465365
IUPAC: methyl 3-[4-(4-carbamimidoylbenzoyl)piperazine-1-carbonyl]-5-[(4-carbamimidoylpiperazin-1-yl)methyl]benzoate trihydrochloride
IUPAC: methyl 3-[4-(4-carbamimidoylbenzoyl)piperazine-1-carbonyl]-5-[(4-carbamimidoylpiperazin-1-yl)methyl]benzoate trihydrochloride
SMILES: Cl.Cl.Cl.COC(=O)c1cc(CN2CCN(CC2)C(N)=N)cc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)C(N)=N
SMILES: Cl.Cl.Cl.COC(=O)c1cc(CN2CCN(CC2)C(N)=N)cc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)C(N)=N
InChI key: RIIIVYLDVVJOFM-UHFFFAOYSA-N
