A1BZW
Summary
| Name: | 5-({2-[(4-{[(2-chloro[1,1'-biphenyl]-4-yl)methyl]amino}butyl)amino]ethyl}amino)benzo[c][2,6]naphthyridine-8-carboxylic acid |
| Formula: | C32 H32 Cl N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 554.082 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-carboxylic acid |
| OpenEye OEToolkits | 3.1.0.0 | 5-[2-[4-[(3-chloranyl-4-phenyl-phenyl)methylamino]butylamino]ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(O)c1cc2nc(NCCNCCCCNCc3ccc(c4ccccc4)c(Cl)c3)c3ccncc3c2cc1 |
| InChI | InChI | 1.06 | InChI=1S/C32H32ClN5O2/c33-29-18-22(8-10-25(29)23-6-2-1-3-7-23)20-35-14-5-4-13-34-16-17-37-31-27-12-15-36-21-28(27)26-11-9-24(32(39)40)19-30(26)38-31/h1-3,6-12,15,18-19,21,34-35H,4-5,13-14,16-17,20H2,(H,37,38)(H,39,40) |
| InChIKey | InChI | 1.06 | UCVATOZFUFWNBI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc2c(c1)nc(NCCNCCCCNCc3ccc(c(Cl)c3)c4ccccc4)c5ccncc25 |
| SMILES | CACTVS | 3.385 | OC(=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)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)c2ccc(cc2Cl)CNCCCCNCCNc3c4ccncc4c5ccc(cc5n3)C(=O)O |
