General Property |
Molceule ID (DB) | EGIN0002235 |
Inhibitor Class | Benzo-thiazole |
Molecule Name in Refrence Article | 4 compound |
IUPAC Name | 4-N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-N-methylpyrimidine-2,4-diamine |
Formula | C18H15N5S |
Mass | 333.41 |
Exact Mass | 333.1048162 |
Composition | C (64.84%), H (4.53%), N (21.01%), S (9.62%) |
Atom Count | 39 |
PI | 10.99 |
Smiles | c1c(ccc(c1)c1nc2c(s1)cccc2)Nc1ccnc(n1)NC |
InChI | 1S/C18H15N5S/c1-19-18-20-11-10-16(23-18)21-13-8-6-12(7-9-13)17-22-14-4-2-3-5-15(14)24-17/h2-11H,1H3,
(H2,19,20,21,23) |
InChIKey | IXMITROVYBNKPV-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002235.png) | Structure Backbone | ![](./frame/f_EGIN0002235.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 | VEGFR2 | VEGFR3 | InsR | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 23335763 |
ChEMBL Link | CHEMBL512933 |