General Property |
Molceule ID (DB) | EGIN0000204 |
Inhibitor Class | Diphenyl-amine |
Molecule Name in Refrence Article | 20a compound |
IUPAC Name | 2-[5-(ethylsulfanyl)-1,3,4-oxadiazol-2-yl]-N-{4-[5-(ethylsulfanyl)-1,3,4-oxadiazol-2-yl]phenyl}aniline |
Formula | C20H19N5O2S2 |
Mass | 425.527 |
Exact Mass | 425.0980163 |
Composition | C (56.45%), H (4.5%), N (16.46%), O (7.52%), S (15.07%) |
Atom Count | 48 |
PI | 7.72 |
Smiles | c1c(c(ccc1)c1nnc(o1)SCC)Nc1ccc(cc1)c1nnc(o1)SCC |
InChI | 1S/C20H19N5O2S2/c1-3-28-19-24-22-17(26-19)13-9-11-14(12-10-13)21-16-8-6-5-7-15(16)18-23-25-20(27-18)
29-4-2/h5-12,21H,3-4H2,1-2H3 |
InChIKey | BOYZKDPQHVAROI-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
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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 | 20580136 |
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 | 26352161 |
ChEMBL Link | CHEMBL1241544 |