| General Property |
| Molceule ID (DB) | EGIN0003689 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 9o compound |
| IUPAC Name | 4-N-(3-methylphenyl)-6-N-[3-(morpholin-4-yl)propyl]pyrido[3,4-d]pyrimidine-4,6-diamine |
| Formula | C21H26N6O |
| Mass | 378.4707 |
| Exact Mass | 378.2168095 |
| Composition | C (66.64%), H (6.92%), N (22.21%), O (4.23%) |
| Atom Count | 54 |
| PI | 11.26 |
| Smiles | c1(c2c(ncn1)cnc(c2)NCCCN1CCOCC1)Nc1cc(ccc1)C |
| InChI | 1S/C21H26N6O/c1-16-4-2-5-17(12-16)26-21-18-13-20(23-14-19(18)24-15-25-21)22-6-3-7-27-8-10-28-11-9-27
/h2,4-5,12-15H,3,6-11H2,1H3,(H,22,23)(H,24,25,26) |
| InChIKey | BJYJRYMXVLVRPI-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 | 9513602 |
| 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 | 4485544 |
| ChEMBL Link | CHEMBL162508 |
