| General Property |
| Molceule ID (DB) | EGIN0001106 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 22 Compound |
| IUPAC Name | 4-N-{[(3aS,7aS)-1-[(3-methoxyphenyl)methyl]-3a,7a-dihydro-1H-indazol-5-yl]methyl}-5-[(1E)-(methoxyimino)methyl]pyrimidine-4,6-diamine |
| Formula | C22H25N7O2 |
| Mass | 419.4796 |
| Exact Mass | 419.2069731 |
| Composition | C (62.99%), H (6.01%), N (23.37%), O (7.63%) |
| Atom Count | 56 |
| 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)OC |
| InChI | 1S/C22H25N7O2/c1-30-18-5-3-4-16(9-18)13-29-20-7-6-15(8-17(20)11-27-29)10-24-22-19(12-28-31-2)21(23)2
5-14-26-22/h3-9,11-12,14,17,20H,10,13H2,1-2H3,(H3,23,24,25,26)/b28-12+/t17-,20+/m1/s1 |
| InChIKey | KLONRSTYJABHMB-DKMDRPPCSA-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 | CHEMBL403357 |
