| General Property |
| Molceule ID (DB) | EGIN0003671 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 5p compound |
| IUPAC Name | N-[3-({4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}amino)propyl]-4-methylpiperazin-1-amine |
| Formula | C21H27BrN8 |
| Mass | 471.397 |
| Exact Mass | 470.1542056 |
| Composition | C (53.51%), H (5.77%), Br (16.95%), N (23.77%) |
| Atom Count | 57 |
| PI | 11.36 |
| Smiles | c1(c2c(ncn1)cnc(c2)NCCCNN1CCN(CC1)C)Nc1cc(Br)ccc1 |
| InChI | 1S/C21H27BrN8/c1-29-8-10-30(11-9-29)27-7-3-6-23-20-13-18-19(14-24-20)25-15-26-21(18)28-17-5-2-4-16(2
2)12-17/h2,4-5,12-15,27H,3,6-11H2,1H3,(H,23,24)(H,25,26,28) |
| InChIKey | QZUOQDCANBALJY-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 | 23234091 |
| ChEMBL Link | CHEMBL166307 |
