| General Property |
| Molceule ID (DB) | EGIN0003448 |
| Inhibitor Class | Oxadiazole |
| Molecule Name in Refrence Article | 20x compound |
| IUPAC Name | 3-[({5-[1-(4-methoxyphenyl)-1H-1,3-benzodiazol-6-yl]-1,3,4-oxadiazol-2-yl}sulfanyl)methyl]benzonitrile |
| Formula | C24H17N5O2S |
| Mass | 439.489 |
| Exact Mass | 439.1102955 |
| Composition | C (65.59%), H (3.9%), N (15.94%), O (7.28%), S (7.3%) |
| Atom Count | 49 |
| PI | No isoelectric point. |
| Smiles | c1(cc(ccc1)CSc1nnc(o1)c1ccc2c(c1)n(cn2)c1ccc(cc1)OC)C#N |
| InChI | 1S/C24H17N5O2S/c1-30-20-8-6-19(7-9-20)29-15-26-21-10-5-18(12-22(21)29)23-27-28-24(31-23)32-14-17-4-2
-3-16(11-17)13-25/h2-12,15H,14H2,1H3 |
| InChIKey | XUEHEOHRTKKVET-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 | 19200745 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | Aurora B | BRAF | CDK2 | CDK5 | CK1 delta | c-Kit | c-Met | ERK1 | FGFR3 | IKK beta | JNK1 | Lck | MEK1 | p38a | PKA | Src | TIE2 | VEGFR | PKC theta | CDK1 | MEKK1 | GSK-3 beta | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 24716664 |
| ChEMBL Link | CHEMBL516640 |
