| General Property |
| Molceule ID (DB) | EGIN0003672 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 5q compound |
| IUPAC Name | 2-{[2-({4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}amino)ethyl](2-hydroxyethyl)amino}ethan-1-ol |
| Formula | C19H23BrN6O2 |
| Mass | 447.329 |
| Exact Mass | 446.1065867 |
| Composition | C (51.01%), H (5.18%), Br (17.86%), N (18.79%), O (7.15%) |
| Atom Count | 51 |
| PI | 11.49 |
| Smiles | c1(c2c(ncn1)cnc(c2)NCCN(CCO)CCO)Nc1cc(Br)ccc1 |
| InChI | 1S/C19H23BrN6O2/c20-14-2-1-3-15(10-14)25-19-16-11-18(22-12-17(16)23-13-24-19)21-4-5-26(6-8-27)7-9-28
/h1-3,10-13,27-28H,4-9H2,(H,21,22)(H,23,24,25) |
| InChIKey | HESSFGACSQOVPK-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 | 4485528 |
| ChEMBL Link | CHEMBL165630 |
