| General Property |
| Molceule ID (DB) | EGIN0004632 |
| Inhibitor Class | Indazole |
| Molecule Name in Refrence Article | 11c |
| IUPAC Name | (3aR)-N-cyclohexyl-2-(1H-indazol-5-yl)-3aH-pyrrolo[2,3-b]pyridin-3-amine |
| Formula | C20H21N5 |
| Mass | 331.4142 |
| Exact Mass | 331.1796957 |
| Composition | C (72.48%), H (6.39%), N (21.13%) |
| Atom Count | 46 |
| PI | 7.93 |
| Smiles | C12=NC(=C(NC3CCCCC3)[C@H]1C=CC=N2)c1cc2cn[nH]c2cc1 |
| InChI | 1S/C20H21N5/c1-2-5-15(6-3-1)23-19-16-7-4-10-21-20(16)24-18(19)13-8-9-17-14(11-13)12-22-25-17/h4,7-12
,15-16,23H,1-3,5-6H2,(H,22,25)/t16-/m1/s1 |
| InChIKey | ZGHCNHMMXBMKTP-MRXNPFEDSA-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 | 21288717 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | Aurora2 | Pim1 | Rock2 | Gsk3b | ALL |
| Pub Chem Link |
14902286
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
