General Property |
Molceule ID (DB) | EGIN0002856 |
Inhibitor Class | Dithiobis-indole |
Molecule Name in Refrence Article | 10w compound |
IUPAC Name | 7-methoxy-2-({7-methoxy-1-methyl-3-[(phenylamino)methyl]-1H-indol-2-yl}disulfanyl)-1-methyl-N-phenyl-1H-indole-3-carboxamide |
Formula | C34H32N4O3S2 |
Mass | 608.773 |
Exact Mass | 608.1915823 |
Composition | C (67.08%), H (5.3%), N (9.2%), O (7.88%), S (10.53%) |
Atom Count | 75 |
PI | 7.66 |
Smiles | Cn1c(SSc2c(CNc3ccccc3)c3cccc(c3n2C)OC)c(C(=O)Nc2ccccc2)c2cccc(c12)OC |
InChI | 1S/C34H32N4O3S2/c1-37-30-24(17-11-19-27(30)40-3)26(21-35-22-13-7-5-8-14-22)33(37)42-43-34-29(32(39)3
6-23-15-9-6-10-16-23)25-18-12-20-28(41-4)31(25)38(34)2/h5-20,35H,21H2,1-4H3,(H,36,39) |
InChIKey | HBJBRKCDCOLJHI-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002856.png) | Structure Backbone | ![](./frame/f_EGIN0002856.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 | 8027985 |
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 | CHEMBL292323 |