General Property |
Molceule ID (DB) | EGIN0003392 |
Inhibitor Class | Triazine |
Molecule Name in Refrence Article | 14a compound |
IUPAC Name | 4-[(1,3-benzothiazol-6-yl)amino]-6-[(2-phenylpropan-2-yl)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)NC(c1ccccc1)(C)C |
InChI | 1S/C19H18N6OS/c1-19(2,12-6-4-3-5-7-12)25-17-22-16(23-18(26)24-17)21-13-8-9-14-15(10-13)27-11-20-14/h
3-11H,1-2H3,(H3,21,22,23,24,25,26) |
InChIKey | BJNCGWGKNWXUIL-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 | 15771417 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | cFMS | FGFR1 | TIE2 | KDR | c-Src | beta-IRK | PDGFR2 | ALL |
Pub Chem Link |
9951708
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Drug Bank Link | - |
ChemSpider Link | 8127319 |
ChEMBL Link | CHEMBL175862 |