| General Property |
| Molceule ID (DB) | EGIN0001927 |
| Inhibitor Class | Quinoline |
| Molecule Name in Refrence Article | 30 compound |
| IUPAC Name | 6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]-4-{[(1R,2S)-2-phenylcyclopropyl]amino}quinoline-3-carbonitrile |
| Formula | C28H33N5O2 |
| Mass | 471.5939 |
| Exact Mass | 471.2634253 |
| Composition | C (71.31%), H (7.05%), N (14.85%), O (6.79%) |
| Atom Count | 68 |
| PI | No isoelectric point. |
| Smiles | c1(c(cc2c(c1)c(c(cn2)C#N)N[C@@H]1C[C@H]1c1ccccc1)OCCCN1CCN(CC1)C)OC |
| InChI | 1S/C28H33N5O2/c1-32-10-12-33(13-11-32)9-6-14-35-27-17-24-23(16-26(27)34-2)28(21(18-29)19-30-24)31-25
-15-22(25)20-7-4-3-5-8-20/h3-5,7-8,16-17,19,22,25H,6,9-15H2,1-2H3,(H,30,31)/t22-,25+/m0/s1 |
| InChIKey | YSFGCARYACLFDS-WIOPSUGQSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| View Structure in Jmol | Click to view 3 d structure Download Mol File |
| Drug Like Property | Druglikeliness |
| Symmetry & Geometry | Symmetry And Geometrical Information |
| Activity & Binding | Activity against isoform and covalant binding information |
| Topological Properties | Descriptors |
| Reference | 17827009 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | SRC | SYK | ABL | Flt-1 | KDR | ALL |
| Pub Chem Link |
23661662
|
| Drug Bank Link | - |
| ChemSpider Link | 23307336 |
| ChEMBL Link | CHEMBL248393 |
