| General Property |
| Molceule ID (DB) | EGIN0002664 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 10t compound |
| IUPAC Name | (2R)-N-benzyl-3-[2-({3-[(2R)-2-(benzylcarbamoyl)-2-hydroxyethyl]-1H-indol-2-yl}sulfanyl)-1H-indol-3-yl]-2-hydroxypropanamide |
| Formula | C36H34N4O4S |
| Mass | 618.745 |
| Exact Mass | 618.2300763 |
| Composition | C (69.88%), H (5.54%), N (9.05%), O (10.34%), S (5.18%) |
| Atom Count | 79 |
| PI | 4.52 |
| Smiles | c1cccc2c1c(c([nH]2)Sc1[nH]c2c(c1C[C@H](C(=O)NCc1ccccc1)O)cccc2)C[C@@H](O)C(=O)NCc1ccccc1 |
| InChI | 1S/C36H34N4O4S/c41-31(33(43)37-21-23-11-3-1-4-12-23)19-27-25-15-7-9-17-29(25)39-35(27)45-36-28(26-16
-8-10-18-30(26)40-36)20-32(42)34(44)38-22-24-13-5-2-6-14-24/h1-18,31-32,39-42H,19-22H2,(H,37,43)(H,3
8,44)/t31-,32-/m1/s1 |
| InChIKey | CHOZEWLNNHGTOY-ROJLCIKYSA-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 | 7510340 |
| 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 | CHEMBL157952 |
