| General Property |
| Molceule ID (DB) | EGIN0004236 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 4u compound |
| IUPAC Name | 4-N-(3-methylphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[4,3-d]pyrimidine-4,7-diamine |
| Formula | C22H29N7 |
| Mass | 391.5126 |
| Exact Mass | 391.248444 |
| Composition | C (67.49%), H (7.47%), N (25.04%) |
| Atom Count | 58 |
| PI | 12.01 |
| Smiles | n1cnc(c2c1cc(nc2)NCCCN1CCN(CC1)C)Nc1cc(ccc1)C |
| InChI | 1S/C22H29N7/c1-17-5-3-6-18(13-17)27-22-19-15-24-21(14-20(19)25-16-26-22)23-7-4-8-29-11-9-28(2)10-12-
29/h3,5-6,13-16H,4,7-12H2,1-2H3,(H,23,24)(H,25,26,27) |
| InChIKey | ZSWVFFAVTCICJD-UHFFFAOYSA-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 | 9397172 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 4485494 |
| ChEMBL Link | CHEMBL341522 |
