General Property |
Molceule ID (DB) | EGIN0004638 |
Inhibitor Class | Pyrrolo-pyrimidine |
Molecule Name in Refrence Article | 2 |
IUPAC Name | 2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethan-1-ol |
Formula | C21H16ClF3N4O2 |
Mass | 448.826 |
Exact Mass | 448.0913881 |
Composition | C (56.2%), H (3.59%), Cl (7.9%), F (12.7%), N (12.48%), O (7.13%) |
Atom Count | 47 |
PI | 10.47 |
Smiles | c1(c2n(ccc2ncn1)CCO)Nc1ccc(c(c1)Cl)Oc1cccc(c1)C(F)(F)F |
InChI | 1S/C21H16ClF3N4O2/c22-16-11-14(28-20-19-17(26-12-27-20)6-7-29(19)8-9-30)4-5-18(16)31-15-3-1-2-13(10-
15)21(23,24)25/h1-7,10-12,30H,8-9H2,(H,26,27,28) |
InChIKey | FLFHZVYTVPANLR-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004638.png) | Structure Backbone | ![](./frame/f_EGIN0004638.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 | 22439974 | 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 |
56849701
|
Drug Bank Link | - |
ChemSpider Link | 28481368 |
ChEMBL Link | CHEMBL1923007 |