| General Property |
| Molceule ID (DB) | EGIN0003500 |
| Inhibitor Class | Biaryl |
| Molecule Name in Refrence Article | 6d compound |
| IUPAC Name | N-{4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide |
| Formula | C30H33N5O2 |
| Mass | 495.6153 |
| Exact Mass | 495.2634253 |
| Composition | C (72.7%), H (6.71%), N (14.13%), O (6.46%) |
| Atom Count | 70 |
| PI | 10.02 |
| Smiles | c1(ccc(cc1C)c1nnc(o1)C)c1cc(ccc1C)NC(=O)c1ccc(cc1)CN1CCN(CC1)C |
| InChI | 1S/C30H33N5O2/c1-20-5-11-26(18-28(20)27-12-10-25(17-21(27)2)30-33-32-22(3)37-30)31-29(36)24-8-6-23(7
-9-24)19-35-15-13-34(4)14-16-35/h5-12,17-18H,13-16,19H2,1-4H3,(H,31,36) |
| InChIKey | HSCYIVKNKNXHIF-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 | 18789685 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | JNK3 | CDK2 | VEGFR2 | PLK1 | SGK1 | cFMS | LCK | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 24708339 |
| ChEMBL Link | CHEMBL497350 |
