General Property |
Molceule ID (DB) | EGIN0002237 |
Inhibitor Class | Benzo-thiazole |
Molecule Name in Refrence Article | 6 compound |
IUPAC Name | 2-N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine |
Formula | C19H17N5S |
Mass | 347.437 |
Exact Mass | 347.1204663 |
Composition | C (65.68%), H (4.93%), N (20.16%), S (9.23%) |
Atom Count | 42 |
PI | 9.35 |
Smiles | c1c(ccc(c1)c1nc2c(s1)cccc2)Nc1nccc(n1)N(C)C |
InChI | 1S/C19H17N5S/c1-24(2)17-11-12-20-19(23-17)21-14-9-7-13(8-10-14)18-22-15-5-3-4-6-16(15)25-18/h3-12H,1
-2H3,(H,20,21,23) |
InChIKey | UTQLMOIUFSXMLI-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002237.png) | Structure Backbone | ![](./frame/f_EGIN0002237.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 | Aurora A | Aurora B | InsR | VEGFR2 | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 23335765 |
ChEMBL Link | CHEMBL462161 |