| General Property |
| Molceule ID (DB) | EGIN0003453 |
| Inhibitor Class | Pyrrolo-pyrazole |
| Molecule Name in Refrence Article | 1 compound |
| IUPAC Name | N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl]-3,5-difluorobenzamide |
| Formula | C19H22F2N4O2 |
| Mass | 376.4004 |
| Exact Mass | 376.1710824 |
| Composition | C (60.63%), H (5.89%), F (10.09%), N (14.88%), O (8.5%) |
| Atom Count | 49 |
| PI | 4.78 |
| Smiles | C(=O)(c1cc(cc(c1)F)F)Nc1n[nH]c2c1CN(C2(C)C)C(=O)C(C)(C)C |
| InChI | 1S/C19H22F2N4O2/c1-18(2,3)17(27)25-9-13-14(19(25,4)5)23-24-15(13)22-16(26)10-6-11(20)8-12(21)7-10/h6
-8H,9H2,1-5H3,(H2,22,23,24,26) |
| InChIKey | QXBKFUBBGBWPCJ-UHFFFAOYSA-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 | 20153204 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | AKT1 | ALK | AurA | AurB | c-Abl | CDC7 | CHK1 | CK2 | c-Kit | FGFR1 | FLT3 | IGF1R | IKK2 | IR | JAK2 | LCK | MAPKAPK2 | MET | NEK6 | NIM | P38a | PAK4 | PDGFR | PDK1 | PKA alpha | PKC alpha | PLK1 | PLK2 | RET | STLK2 | SULU1 | TRKA | VEGFR2 | VEGFR3 | CDK5/p25 | GSK-3b | CDK1/cyclinB | CDK2/cyclinA | CDK2/cyclinE | ALL |
| Pub Chem Link |
10429593
|
| Drug Bank Link | - |
| ChemSpider Link | 8605021 |
| ChEMBL Link | CHEMBL604712 |
