HIT ID: HIT212671211
Cas No: 1379573-88-2
分子式: C25H31N9O4
分子量: 521.582
常用名: CBB1003
氢键受体数 (HBA): 10
氢键供体数 (HBD): 4
LogP: -0.03902741
IUPAC: 4-({3-[4-(4-carbamimidoylbenzoyl)piperazine-1-carbonyl]-5-nitrophenyl}methyl)piperazine-1-carboximidamide
IUPAC: 4-({3-[4-(4-carbamimidoylbenzoyl)piperazine-1-carbonyl]-5-nitrophenyl}methyl)piperazine-1-carboximidamide
SMILES: NC(=N)N1CCN(Cc2cc(cc(c2)[N+]([O-])=O)C(=O)N2CCN(CC2)C(=O)c2ccc(cc2)C(N)=N)CC1
SMILES: NC(=N)N1CCN(Cc2cc(cc(c2)[N+]([O-])=O)C(=O)N2CCN(CC2)C(=O)c2ccc(cc2)C(N)=N)CC1
InChI key: SKTVJNLOILHEKO-UHFFFAOYSA-N
