A1BZ0
Summary
| Name: | 5-({2-[(3-{[(2-chloro[1,1'-biphenyl]-4-yl)methyl]amino}propyl)amino]ethyl}amino)benzo[c][2,6]naphthyridine-8-carboxylic acid |
| Formula: | C31 H30 Cl N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 540.055 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 5-({2-[(3-{[(2-chloro[1,1'-biphenyl]-4-yl)methyl]amino}propyl)amino]ethyl}amino)benzo[c][2,6]naphthyridine-8-carboxylic acid |
| OpenEye OEToolkits | 3.1.0.0 | 5-[2-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propylamino]ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(O)c1cc2nc(NCCNCCCNCc3ccc(c4ccccc4)c(Cl)c3)c3ccncc3c2cc1 |
| InChI | InChI | 1.06 | InChI=1S/C31H30ClN5O2/c32-28-17-21(7-9-24(28)22-5-2-1-3-6-22)19-34-13-4-12-33-15-16-36-30-26-11-14-35-20-27(26)25-10-8-23(31(38)39)18-29(25)37-30/h1-3,5-11,14,17-18,20,33-34H,4,12-13,15-16,19H2,(H,36,37)(H,38,39) |
| InChIKey | InChI | 1.06 | UUMULXMLFUHPOL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc2c(c1)nc(NCCNCCCNCc3ccc(c(Cl)c3)c4ccccc4)c5ccncc25 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc2c(c1)nc(NCCNCCCNCc3ccc(c(Cl)c3)c4ccccc4)c5ccncc25 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)c2ccc(cc2Cl)CNCCCNCCNc3c4ccncc4c5ccc(cc5n3)C(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)c2ccc(cc2Cl)CNCCCNCCNc3c4ccncc4c5ccc(cc5n3)C(=O)O |
