| General Property |
| Molceule ID (DB) | EGIN0001103 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 19 Compound |
| IUPAC Name | 4-N-{[(3aS,7aS)-1-benzyl-3a,7a-dihydro-1H-indazol-5-yl]methyl}-5-[(1E)-(methoxyimino)methyl]pyrimidine-4,6-diamine |
| Formula | C21H23N7O |
| Mass | 389.4536 |
| Exact Mass | 389.1964084 |
| Composition | C (64.76%), H (5.95%), N (25.18%), O (4.11%) |
| 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)Cc1ccccc1 |
| InChI | 1S/C21H23N7O/c1-29-27-12-18-20(22)24-14-25-21(18)23-10-16-7-8-19-17(9-16)11-26-28(19)13-15-5-3-2-4-6
-15/h2-9,11-12,14,17,19H,10,13H2,1H3,(H3,22,23,24,25)/b27-12+/t17-,19+/m1/s1 |
| InChIKey | LSRFTXJJYZXTQT-HFCZCUNJSA-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 | CHEMBL402113 |
