General Property |
Molceule ID (DB) | EGIN0004430 |
Inhibitor Class | Pyrrolo-pyrimidine |
Molecule Name in Refrence Article | 6i |
IUPAC Name | N-{3-chloro-4-[2-(trifluoromethyl)phenoxy]phenyl}-5H-pyrrolo[3,2-d]pyrimidin-4-amine |
Formula | C19H12ClF3N4O |
Mass | 404.773 |
Exact Mass | 404.0651733 |
Composition | C (56.38%), H (2.99%), Cl (8.76%), F (14.08%), N (13.84%), O (3.95%) |
Atom Count | 40 |
PI | 9.61 |
Smiles | c1(c2[nH]ccc2ncn1)Nc1ccc(c(c1)Cl)Oc1c(cccc1)C(F)(F)F |
InChI | 1S/C19H12ClF3N4O/c20-13-9-11(27-18-17-14(7-8-24-17)25-10-26-18)5-6-16(13)28-15-4-2-1-3-12(15)19(21,2
2)23/h1-10,24H,(H,25,26,27) |
InChIKey | LVNYQEFSHJDOCT-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004430.png) | Structure Backbone | ![](./frame/f_EGIN0004430.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 |
56851588
|
Drug Bank Link | - |
ChemSpider Link | 28532215 |
ChEMBL Link | CHEMBL1922904 |