| General Property |
| Molceule ID (DB) | EGIN0004541 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 34a |
| IUPAC Name | N-{3-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]propyl}-2-hydroxyacetamide |
| Formula | C24H21ClF3N5O3 |
| Mass | 519.903 |
| Exact Mass | 519.1285019 |
| Composition | C (55.44%), H (4.07%), Cl (6.82%), F (10.96%), N (13.47%), O (9.23%) |
| Atom Count | 57 |
| PI | 9.59 |
| Smiles | c1(c2n(ccc2ncn1)CCCNC(=O)CO)Nc1ccc(c(c1)Cl)Oc1cccc(c1)C(F)(F)F |
| InChI | 1S/C24H21ClF3N5O3/c25-18-12-16(5-6-20(18)36-17-4-1-3-15(11-17)24(26,27)28)32-23-22-19(30-14-31-23)7-
10-33(22)9-2-8-29-21(35)13-34/h1,3-7,10-12,14,34H,2,8-9,13H2,(H,29,35)(H,30,31,32) |
| InChIKey | ZWAPUGIEXWUTPT-UHFFFAOYSA-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 | 22003817 |
| 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 | - |
| ChEMBL Link | - |
