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 | ![](./image/EGIN0004632.png) | Structure Backbone | ![](./frame/f_EGIN0004632.png) |
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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 | 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
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |