| General Property |
| Molceule ID (DB) | EGIN0000197 |
| Inhibitor Class | Diphenyl-amine |
| Molecule Name in Refrence Article | 16b compound |
| IUPAC Name | N-phenyl-5-[2-({4-[5-(phenylamino)-1,3,4-thiadiazol-2-yl]phenyl}amino)phenyl]-1,3,4-thiadiazol-2-amine |
| Formula | C28H21N7S2 |
| Mass | 519.643 |
| Exact Mass | 519.1299851 |
| Composition | C (64.72%), H (4.07%), N (18.87%), S (12.34%) |
| Atom Count | 58 |
| PI | 5.45 |
| Smiles | c1c(c(ccc1)c1nnc(s1)Nc1ccccc1)Nc1ccc(cc1)c1nnc(s1)Nc1ccccc1 |
| InChI | 1S/C28H21N7S2/c1-3-9-20(10-4-1)30-27-34-32-25(36-27)19-15-17-22(18-16-19)29-24-14-8-7-13-23(24)26-33
-35-28(37-26)31-21-11-5-2-6-12-21/h1-18,29H,(H,30,34)(H,31,35) |
| InChIKey | KMMVXOVMGINFPJ-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 | 26352603 |
| ChEMBL Link | CHEMBL1242713 |
