General Property |
Molceule ID (DB) | EGIN0004445 |
Inhibitor Class | Pyrrolo-pyrimidine |
Molecule Name in Refrence Article | 6b |
IUPAC Name | N-[3-chloro-4-(2-fluorophenoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine |
Formula | C18H12ClFN4O |
Mass | 354.765 |
Exact Mass | 354.0683669 |
Composition | C (60.94%), H (3.41%), Cl (9.99%), F (5.36%), N (15.79%), O (4.51%) |
Atom Count | 37 |
PI | 9.61 |
Smiles | c1(c2[nH]ccc2ncn1)Nc1ccc(c(c1)Cl)Oc1c(cccc1)F |
InChI | 1S/C18H12ClFN4O/c19-12-9-11(24-18-17-14(7-8-21-17)22-10-23-18)5-6-15(12)25-16-4-2-1-3-13(16)20/h1-10
,21H,(H,22,23,24) |
InChIKey | XWHJPZMQYNMSOJ-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004445.png) | Structure Backbone | ![](./frame/f_EGIN0004445.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 |
56851427
|
Drug Bank Link | - |
ChemSpider Link | 28482816 |
ChEMBL Link | CHEMBL1922898 |