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 | ![](./image/EGIN0002664.png) | Structure Backbone | ![](./frame/f_EGIN0002664.png) |
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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 | 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 |