General Property |
Molceule ID (DB) | EGIN0002234 |
Inhibitor Class | Benzo-thiazole |
Molecule Name in Refrence Article | 3 compound |
IUPAC Name | 4-N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-N-(5-methyl-1H-pyrazol-3-yl)pyridine-2,4-diamine |
Formula | C22H18N6S |
Mass | 398.484 |
Exact Mass | 398.1313653 |
Composition | C (66.31%), H (4.55%), N (21.09%), S (8.05%) |
Atom Count | 47 |
PI | 10.42 |
Smiles | c1c(ccc(c1)c1nc2c(s1)cccc2)Nc1ccnc(c1)Nc1cc([nH]n1)C |
InChI | 1S/C22H18N6S/c1-14-12-21(28-27-14)26-20-13-17(10-11-23-20)24-16-8-6-15(7-9-16)22-25-18-4-2-3-5-19(18
)29-22/h2-13H,1H3,(H3,23,24,26,27,28) |
InChIKey | MVXAWROAJALYHX-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002234.png) | Structure Backbone | ![](./frame/f_EGIN0002234.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 | 19211246 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | InsR | VEGFR2 | Aurora A | Aurora B | VEGFR3 | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 23335762 |
ChEMBL Link | CHEMBL461991 |