| General Property |
| Molceule ID (DB) | EGIN0001105 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 21 Compound |
| IUPAC Name | 3-{[(3aS,7aS)-5-[({6-amino-5-[(1E)-(methoxyimino)methyl]pyrimidin-4-yl}amino)methyl]-3a,7a-dihydro-1H-indazol-1-yl]methyl}benzonitrile |
| Formula | C22H22N8O |
| Mass | 414.4631 |
| Exact Mass | 414.1916574 |
| Composition | C (63.75%), H (5.35%), N (27.04%), O (3.86%) |
| Atom Count | 53 |
| 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)C#N |
| InChI | 1S/C22H22N8O/c1-31-29-12-19-21(24)26-14-27-22(19)25-10-16-5-6-20-18(8-16)11-28-30(20)13-17-4-2-3-15(
7-17)9-23/h2-8,11-12,14,18,20H,10,13H2,1H3,(H3,24,25,26,27)/b29-12+/t18-,20+/m1/s1 |
| InChIKey | MSQOWFCIRPKEEL-RYKMCWCGSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| 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 | CHEMBL255865 |
