General Property |
Molceule ID (DB) | EGIN0003391 |
Inhibitor Class | Triazine |
Molecule Name in Refrence Article | 5 compound |
IUPAC Name | 2-N-(1,3-benzothiazol-6-yl)-4-N-hydroxy-6-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4,6-triamine |
Formula | C19H19N7OS |
Mass | 393.465 |
Exact Mass | 393.137179 |
Composition | C (58%), H (4.87%), N (24.92%), O (4.07%), S (8.15%) |
Atom Count | 47 |
PI | 8.58 |
Smiles | c1(nc(nc(n1)NO)Nc1cc2scnc2cc1)NC(c1ccccc1)(C)C |
InChI | 1S/C19H19N7OS/c1-19(2,12-6-4-3-5-7-12)25-17-22-16(23-18(24-17)26-27)21-13-8-9-14-15(10-13)28-11-20-1
4/h3-11,27H,1-2H3,(H3,21,22,23,24,25,26) |
InChIKey | DOXJXXFTEWRETQ-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 | c-Src | FGFR1 | PDGFR2 | KDR | alpha-IRK | TIE2 | ALL |
Pub Chem Link |
10249989
|
Drug Bank Link | - |
ChemSpider Link | 8425475 |
ChEMBL Link | CHEMBL177298 |