| General Property |
| Molceule ID (DB) | EGIN0003661 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 5f compound |
| IUPAC Name | (2S)-3-({4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}amino)propane-1,2-diol |
| Formula | C16H16BrN5O2 |
| Mass | 390.235 |
| Exact Mass | 389.0487374 |
| Composition | C (49.24%), H (4.13%), Br (20.48%), N (17.95%), O (8.2%) |
| Atom Count | 40 |
| PI | 9.49 |
| Smiles | c1(c2c(ncn1)cnc(c2)NC[C@H](O)CO)Nc1cc(Br)ccc1 |
| InChI | 1S/C16H16BrN5O2/c17-10-2-1-3-11(4-10)22-16-13-5-15(18-6-12(24)8-23)19-7-14(13)20-9-21-16/h1-5,7,9,12
,23-24H,6,8H2,(H,18,19)(H,20,21,22)/t12-/m0/s1 |
| InChIKey | OJFNYXBTRFDYPU-LBPRGKRZSA-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 | 4485517 21201182 21201036 |
| ChEMBL Link | CHEMBL166093 |
