General Property |
Molceule ID (DB) | EGIN0004418 |
Inhibitor Class | Pyrrolo-pyrimidine |
Molecule Name in Refrence Article | 8l |
IUPAC Name | N-{3-chloro-4-[3-(trifluoromethoxy)phenoxy]phenyl}-5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine |
Formula | C20H14ClF3N4O2 |
Mass | 434.799 |
Exact Mass | 434.075738 |
Composition | C (55.25%), H (3.25%), Cl (8.15%), F (13.11%), N (12.89%), O (7.36%) |
Atom Count | 44 |
PI | 10.9 |
Smiles | c1(c2n(ccc2ncn1)C)Nc1ccc(c(c1)Cl)Oc1cccc(c1)OC(F)(F)F |
InChI | 1S/C20H14ClF3N4O2/c1-28-8-7-16-18(28)19(26-11-25-16)27-12-5-6-17(15(21)9-12)29-13-3-2-4-14(10-13)30-
20(22,23)24/h2-11H,1H3,(H,25,26,27) |
InChIKey | QFMCOTDYFYKZNH-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004418.png) | Structure Backbone | ![](./frame/f_EGIN0004418.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 | 22003817 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | No activity data against other kinases present in database |
Pub Chem Link |
56849562
|
Drug Bank Link | - |
ChemSpider Link | 28481051 |
ChEMBL Link | CHEMBL1923005 |