A1BZS
Summary
| Name: | 5-({2-[(4-{[(2-chloro[1,1'-biphenyl]-4-yl)methyl]amino}butyl)amino]ethyl}amino)benzo[c][2,6]naphthyridine-8-carboxamide |
| Formula: | C32 H33 Cl N6 O |
| Formal charge: | 0 |
| Formula weight: | 553.097 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 5-({2-[(4-{[(2-chloro[1,1'-biphenyl]-4-yl)methyl]amino}butyl)amino]ethyl}amino)benzo[c][2,6]naphthyridine-8-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | 5-[2-[4-[(3-chloranyl-4-phenyl-phenyl)methylamino]butylamino]ethylamino]benzo[c][2,6]naphthyridine-8-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NC(=O)c1cc2nc(NCCNCCCCNCc3ccc(c4ccccc4)c(Cl)c3)c3ccncc3c2cc1 |
| InChI | InChI | 1.06 | InChI=1S/C32H33ClN6O/c33-29-18-22(8-10-25(29)23-6-2-1-3-7-23)20-36-14-5-4-13-35-16-17-38-32-27-12-15-37-21-28(27)26-11-9-24(31(34)40)19-30(26)39-32/h1-3,6-12,15,18-19,21,35-36H,4-5,13-14,16-17,20H2,(H2,34,40)(H,38,39) |
| InChIKey | InChI | 1.06 | UDMMSRACJKZLOJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1ccc2c(c1)nc(NCCNCCCCNCc3ccc(c(Cl)c3)c4ccccc4)c5ccncc25 |
| SMILES | CACTVS | 3.385 | NC(=O)c1ccc2c(c1)nc(NCCNCCCCNCc3ccc(c(Cl)c3)c4ccccc4)c5ccncc25 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)c2ccc(cc2Cl)CNCCCCNCCNc3c4ccncc4c5ccc(cc5n3)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)c2ccc(cc2Cl)CNCCCCNCCNc3c4ccncc4c5ccc(cc5n3)C(=O)N |
