A1I91
Summary
| Name: | 5-[4-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propanoylamino]butylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid |
| Formula: | C33 H32 Cl N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 582.092 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[4-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propanoylamino]butylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C33H32ClN5O3/c34-29-18-22(8-10-25(29)23-6-2-1-3-7-23)20-35-17-13-31(40)37-14-4-5-15-38-32-27-12-16-36-21-28(27)26-11-9-24(33(41)42)19-30(26)39-32/h1-3,6-12,16,18-19,21,35H,4-5,13-15,17,20H2,(H,37,40)(H,38,39)(H,41,42) |
| InChIKey | InChI | 1.06 | GUVRROSMPNPMTA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc2c(c1)nc(NCCCCNC(=O)CCNCc3ccc(c(Cl)c3)c4ccccc4)c5ccncc25 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc2c(c1)nc(NCCCCNC(=O)CCNCc3ccc(c(Cl)c3)c4ccccc4)c5ccncc25 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc(cc2Cl)CNCCC(=O)NCCCCNc3c4ccncc4c5ccc(cc5n3)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc(cc2Cl)CNCCC(=O)NCCCCNc3c4ccncc4c5ccc(cc5n3)C(=O)O |
