| General Property |
| Molceule ID (DB) | EGIN0002656 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 10l compound |
| IUPAC Name | 3-({[4-(2-{[3-(3-{[(3-carboxyphenyl)methyl]amino}but-3-en-1-yl)-1H-indol-2-yl]sulfanyl}-1H-indol-3-yl)but-1-en-2-yl]amino}methyl)benzoic acid |
| Formula | C40H38N4O4S |
| Mass | 670.819 |
| Exact Mass | 670.2613764 |
| Composition | C (71.62%), H (5.71%), N (8.35%), O (9.54%), S (4.78%) |
| Atom Count | 87 |
| PI | 6.18 |
| Smiles | c1cccc2c1c(c([nH]2)Sc1c(c2ccccc2[nH]1)CCC(=C)NCc1cc(ccc1)C(=O)O)CCC(=C)NCc1cccc(c1)C(=O)O |
| InChI | 1S/C40H38N4O4S/c1-25(41-23-27-9-7-11-29(21-27)39(45)46)17-19-33-31-13-3-5-15-35(31)43-37(33)49-38-34
(32-14-4-6-16-36(32)44-38)20-18-26(2)42-24-28-10-8-12-30(22-28)40(47)48/h3-16,21-22,41-44H,1-2,17-20
,23-24H2,(H,45,46)(H,47,48) |
| InChIKey | ONIDBUDLGHXORW-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 | 7510340 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | SRC | |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | CHEMBL155293 |
