General Property |
Molceule ID (DB) | EGIN0003393 |
Inhibitor Class | Triazine |
Molecule Name in Refrence Article | 14c compound |
IUPAC Name | 4-[(1,3-benzothiazol-6-yl)amino]-6-[benzyl(ethyl)amino]-1,3,5-triazin-2-ol |
Formula | C19H18N6OS |
Mass | 378.451 |
Exact Mass | 378.1262799 |
Composition | C (60.3%), H (4.79%), N (22.21%), O (4.23%), S (8.47%) |
Atom Count | 45 |
PI | 7.25 |
Smiles | c1(nc(nc(n1)O)Nc1cc2scnc2cc1)N(Cc1ccccc1)CC |
InChI | 1S/C19H18N6OS/c1-2-25(11-13-6-4-3-5-7-13)18-22-17(23-19(26)24-18)21-14-8-9-15-16(10-14)27-12-20-15/h
3-10,12H,2,11H2,1H3,(H2,21,22,23,24,26) |
InChIKey | CUTRRQNUXLUQCJ-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0003393.png) | Structure Backbone | ![](./frame/f_EGIN0003393.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 | 15771417 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | FGFR1 | PDGFR2 | c-Src | TIE2 | beta- IRK | cFMS | KDR | ALL |
Pub Chem Link |
10452258
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Drug Bank Link | - |
ChemSpider Link | 8627674 |
ChEMBL Link | CHEMBL176078 |