| General Property |
| Molceule ID (DB) | EGIN0000198 |
| Inhibitor Class | Diphenyl-amine |
| Molecule Name in Refrence Article | 16c compound |
| IUPAC Name | N-cyclopropyl-5-[2-({4-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]phenyl}amino)phenyl]-1,3,4-thiadiazol-2-amine |
| Formula | C22H21N7S2 |
| Mass | 447.579 |
| Exact Mass | 447.1299851 |
| Composition | C (59.04%), H (4.73%), N (21.91%), S (14.33%) |
| Atom Count | 52 |
| PI | 7.22 |
| Smiles | c1c(c(ccc1)c1nnc(s1)NC1CC1)Nc1ccc(cc1)c1nnc(s1)NC1CC1 |
| InChI | 1S/C22H21N7S2/c1-2-4-18(17(3-1)20-27-29-22(31-20)25-16-11-12-16)23-14-7-5-13(6-8-14)19-26-28-21(30-1
9)24-15-9-10-15/h1-8,15-16,23H,9-12H2,(H,24,28)(H,25,29) |
| InChIKey | MDOHCICQRGDILY-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
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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 | 20580136 |
| 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 | - |
