| General Property |
| Molceule ID (DB) | EGIN0004211 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 3j compound |
| IUPAC Name | (2S,3R,4S,5S)-6-({4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin-7-yl}amino)hexane-1,2,3,4,5-pentol |
| Formula | C19H22BrN5O5 |
| Mass | 480.312 |
| Exact Mass | 479.0804315 |
| Composition | C (47.51%), H (4.62%), Br (16.64%), N (14.58%), O (16.66%) |
| Atom Count | 52 |
| PI | 8.88 |
| Smiles | n1cnc(c2c1cc(nc2)NC[C@H](O)[C@@H]([C@H](O)[C@@H](O)CO)O)Nc1cc(ccc1)Br |
| InChI | 1S/C19H22BrN5O5/c20-10-2-1-3-11(4-10)25-19-12-6-21-16(5-13(12)23-9-24-19)22-7-14(27)17(29)18(30)15(2
8)8-26/h1-6,9,14-15,17-18,26-30H,7-8H2,(H,21,22)(H,23,24,25)/t14-,15-,17-,18+/m0/s1 |
| InChIKey | CHHPKSCSIBSQIU-UOVPBQLFSA-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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 4485469 8918662 21201194 21201193 21201192 21201191 |
| ChEMBL Link | CHEMBL129579 |
