| General Property |
| Molceule ID (DB) | EGIN0004540 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 34b |
| IUPAC Name | N-{3-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]propyl}-2-hydroxy-N-methylacetamide |
| 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 | 9.61 |
| Smiles | c1(c2n(ccc2ncn1)CCCN(C(=O)CO)C)Nc1ccc(c(c1)Cl)Oc1cccc(c1)C(F)(F)F |
| InChI | 1S/C25H23ClF3N5O3/c1-33(22(36)14-35)9-3-10-34-11-8-20-23(34)24(31-15-30-20)32-17-6-7-21(19(26)13-17)
37-18-5-2-4-16(12-18)25(27,28)29/h2,4-8,11-13,15,35H,3,9-10,14H2,1H3,(H,30,31,32) |
| InChIKey | ZTDWKMAQFRZRHT-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 | - |
