| General Property |
| Molceule ID (DB) | EGIN0001104 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 20 Compound |
| IUPAC Name | 4-N-{[(3aS,7aS)-1-[(3-chlorophenyl)methyl]-3a,7a-dihydro-1H-indazol-5-yl]methyl}-5-[(1E)-(methoxyimino)methyl]pyrimidine-4,6-diamine |
| Formula | C21H22ClN7O |
| Mass | 423.899 |
| Exact Mass | 423.1574361 |
| Composition | C (59.5%), H (5.23%), Cl (8.36%), N (23.13%), O (3.77%) |
| Atom Count | 52 |
| PI | 12.09 |
| Smiles | N(c1c(c(ncn1)N)/C=N/OC)CC1=C[C@H]2[C@H](C=C1)N(N=C2)Cc1cc(ccc1)Cl |
| InChI | 1S/C21H22ClN7O/c1-30-28-11-18-20(23)25-13-26-21(18)24-9-14-5-6-19-16(7-14)10-27-29(19)12-15-3-2-4-17
(22)8-15/h2-8,10-11,13,16,19H,9,12H2,1H3,(H3,23,24,25,26)/b28-11+/t16-,19+/m1/s1 |
| InChIKey | CTZJVEWHMVPDNN-QLOMGTQGSA-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 | 18508264 |
| 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 | CHEMBL255656 |
