General Property |
Molceule ID (DB) | EGIN0004428 |
Inhibitor Class | Pyrrolo-pyrimidine |
Molecule Name in Refrence Article | 6k |
IUPAC Name | N-{3-chloro-4-[2-(trifluoromethoxy)phenoxy]phenyl}-5H-pyrrolo[3,2-d]pyrimidin-4-amine |
Formula | C19H12ClF3N4O2 |
Mass | 420.772 |
Exact Mass | 420.060088 |
Composition | C (54.23%), H (2.87%), Cl (8.43%), F (13.55%), N (13.32%), O (7.6%) |
Atom Count | 41 |
PI | 9.61 |
Smiles | c1(c2[nH]ccc2ncn1)Nc1ccc(c(c1)Cl)Oc1c(cccc1)OC(F)(F)F |
InChI | 1S/C19H12ClF3N4O2/c20-12-9-11(27-18-17-13(7-8-24-17)25-10-26-18)5-6-14(12)28-15-3-1-2-4-16(15)29-19(
21,22)23/h1-10,24H,(H,25,26,27) |
InChIKey | HCONVOOBXMEDII-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004428.png) | Structure Backbone | ![](./frame/f_EGIN0004428.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 |
56851590
|
Drug Bank Link | - |
ChemSpider Link | 28477797 |
ChEMBL Link | CHEMBL1922906 |