| General Property |
| Molceule ID (DB) | EGIN0004539 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 34c |
| IUPAC Name | N-{3-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]propyl}-2-hydroxy-2-methylpropanamide |
| Formula | C26H25ClF3N5O3 |
| Mass | 547.957 |
| Exact Mass | 547.159802 |
| Composition | C (56.99%), H (4.6%), Cl (6.47%), F (10.4%), N (12.78%), O (8.76%) |
| Atom Count | 63 |
| PI | 9.46 |
| Smiles | c1(c2n(ccc2ncn1)CCCNC(=O)C(O)(C)C)Nc1ccc(c(c1)Cl)Oc1cccc(c1)C(F)(F)F |
| InChI | 1S/C26H25ClF3N5O3/c1-25(2,37)24(36)31-10-4-11-35-12-9-20-22(35)23(33-15-32-20)34-17-7-8-21(19(27)14-
17)38-18-6-3-5-16(13-18)26(28,29)30/h3,5-9,12-15,37H,4,10-11H2,1-2H3,(H,31,36)(H,32,33,34) |
| InChIKey | FDBLINNNTFYWOQ-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 | - |
