| General Property |
| Molceule ID (DB) | EGIN0004538 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 34d |
| IUPAC Name | N-{3-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]propyl}-3-hydroxypropanamide |
| Formula | C25H23ClF3N5O3 |
| Mass | 533.93 |
| Exact Mass | 533.1441519 |
| Composition | C (56.24%), H (4.34%), Cl (6.64%), F (10.67%), N (13.12%), O (8.99%) |
| Atom Count | 60 |
| PI | 10.32 |
| Smiles | c1(c2n(ccc2ncn1)CCCNC(=O)CCO)Nc1ccc(c(c1)Cl)Oc1cccc(c1)C(F)(F)F |
| InChI | 1S/C25H23ClF3N5O3/c26-19-14-17(5-6-21(19)37-18-4-1-3-16(13-18)25(27,28)29)33-24-23-20(31-15-32-24)7-
11-34(23)10-2-9-30-22(36)8-12-35/h1,3-7,11,13-15,35H,2,8-10,12H2,(H,30,36)(H,31,32,33) |
| InChIKey | JBIPWUYNZAZJJK-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 | - |
