| General Property |
| Molceule ID (DB) | EGIN0004503 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 42k |
| IUPAC Name | N-[3-chloro-4-(1H-indazol-4-yloxy)phenyl]-5-propyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine |
| Formula | C22H19ClN6O |
| Mass | 418.879 |
| Exact Mass | 418.130887 |
| Composition | C (63.08%), H (4.57%), Cl (8.46%), N (20.06%), O (3.82%) |
| Atom Count | 49 |
| PI | 9.52 |
| Smiles | c1(c2n(ccc2ncn1)CCC)Nc1ccc(c(c1)Cl)Oc1c2cn[nH]c2ccc1 |
| InChI | 1S/C22H19ClN6O/c1-2-9-29-10-8-18-21(29)22(25-13-24-18)27-14-6-7-20(16(23)11-14)30-19-5-3-4-17-15(19)
12-26-28-17/h3-8,10-13H,2,9H2,1H3,(H,26,28)(H,24,25,27) |
| InChIKey | UAGZHXGOKUNAGH-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 | 22439974 |
| 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 | - |
