| General Property |
| Molceule ID (DB) | EGIN0003666 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 5k compound |
| IUPAC Name | 4-N-(3-bromophenyl)-6-N-[(2S)-3-(diethylamino)-2-hydroxypropyl]pyrido[3,4-d]pyrimidine-4,6-diamine |
| Formula | C20H25BrN6O |
| Mass | 445.356 |
| Exact Mass | 444.1273221 |
| Composition | C (53.94%), H (5.66%), Br (17.94%), N (18.87%), O (3.59%) |
| Atom Count | 53 |
| PI | 11.86 |
| Smiles | c1(c2c(ncn1)cnc(c2)NC[C@@H](CN(CC)CC)O)Nc1cc(Br)ccc1 |
| InChI | 1S/C20H25BrN6O/c1-3-27(4-2)12-16(28)10-22-19-9-17-18(11-23-19)24-13-25-20(17)26-15-7-5-6-14(21)8-15/
h5-9,11,13,16,28H,3-4,10,12H2,1-2H3,(H,22,23)(H,24,25,26)/t16-/m0/s1 |
| InChIKey | RNIMVALSZBLGMI-INIZCTEOSA-N |
| 2D Structure |  | Structure Backbone |  |
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| 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 | c-Src | FGFR | IR | PDGFR | PDGFR | FGFR | c-Src | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 4485522 21201190 21201101 |
| ChEMBL Link | CHEMBL433520 |
