General Property |
Molceule ID (DB) | EGIN0003157 |
Inhibitor Class | Triazine |
Molecule Name in Refrence Article | 5 compound |
IUPAC Name | N-[4-methyl-3-({3-[4-(methylamino)-1,3,5-triazin-2-yl]pyridin-2-yl}oxy)phenyl]-3-(1,1,2,2-tetrafluoroethoxy)benzamide |
Formula | C25H20F4N6O3 |
Mass | 528.4583 |
Exact Mass | 528.1533014 |
Composition | C (56.82%), H (3.81%), F (14.38%), N (15.9%), O (9.08%) |
Atom Count | 58 |
PI | 6.6 |
Smiles | c1(cc(ccc1)OC(C(F)F)(F)F)C(=O)Nc1cc(Oc2c(c3nc(ncn3)NC)cccn2)c(cc1)C |
InChI | 1S/C25H20F4N6O3/c1-14-8-9-16(34-21(36)15-5-3-6-17(11-15)38-25(28,29)23(26)27)12-19(14)37-22-18(7-4-1
0-31-22)20-32-13-33-24(30-2)35-20/h3-13,23H,1-2H3,(H,34,36)(H,30,32,33,35) |
InChIKey | GHRNBCMJJKMYNR-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0003157.png) | Structure Backbone | ![](./frame/f_EGIN0003157.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 | 17350837 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | BTK | c-Kit | c-Met | EGFR | FGFR | IGFR1 | Jak2 | JNK3 | KDR | Lck | p38 | Src | TIE2 | Zap70 | ALL |
Pub Chem Link |
17748275
|
Drug Bank Link | - |
ChemSpider Link | 23304547 |
ChEMBL Link | CHEMBL246356 |