General Property |
Molceule ID (DB) | EGIN0003394 |
Inhibitor Class | Triazine |
Molecule Name in Refrence Article | 14d compound |
IUPAC Name | 4-[(1,3-benzothiazol-6-yl)amino]-6-[benzyl(propan-2-yl)amino]-1,3,5-triazin-2-ol |
Formula | C20H20N6OS |
Mass | 392.477 |
Exact Mass | 392.14193 |
Composition | C (61.2%), H (5.14%), N (21.41%), O (4.08%), S (8.17%) |
Atom Count | 48 |
PI | 7.24 |
Smiles | c1(nc(nc(n1)O)Nc1cc2scnc2cc1)N(Cc1ccccc1)C(C)C |
InChI | 1S/C20H20N6OS/c1-13(2)26(11-14-6-4-3-5-7-14)19-23-18(24-20(27)25-19)22-15-8-9-16-17(10-15)28-12-21-1
6/h3-10,12-13H,11H2,1-2H3,(H2,22,23,24,25,27) |
InChIKey | AODUHZPEXFCKHF-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0003394.png) | Structure Backbone | ![](./frame/f_EGIN0003394.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 | cFMS | c-Src | FGFR1 | PDGFR2 | alpha-IRK | KDR | TIE2 | ALL |
Pub Chem Link |
15771417
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Drug Bank Link | - |
ChemSpider Link | 8493819 |
ChEMBL Link | CHEMBL176019 |