General Property |
Molceule ID (DB) | EGIN0004419 |
Inhibitor Class | Pyrrolo-pyrimidine |
Molecule Name in Refrence Article | 8j |
IUPAC Name | N-{3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}-5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine |
Formula | C20H14ClF3N4O |
Mass | 418.8 |
Exact Mass | 418.0808234 |
Composition | C (57.36%), H (3.37%), Cl (8.47%), F (13.61%), N (13.38%), O (3.82%) |
Atom Count | 43 |
PI | 10.9 |
Smiles | c1(c2n(ccc2ncn1)C)Nc1ccc(c(c1)Cl)Oc1cccc(c1)C(F)(F)F |
InChI | 1S/C20H14ClF3N4O/c1-28-8-7-16-18(28)19(26-11-25-16)27-13-5-6-17(15(21)10-13)29-14-4-2-3-12(9-14)20(2
2,23)24/h2-11H,1H3,(H,25,26,27) |
InChIKey | RWQIOAPAHWFTMQ-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004419.png) | Structure Backbone | ![](./frame/f_EGIN0004419.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 |
56849560
|
Drug Bank Link | - |
ChemSpider Link | 28481050 |
ChEMBL Link | CHEMBL1923004 |