General Property |
Molceule ID (DB) | EGIN0004426 |
Inhibitor Class | Pyrrolo-pyrimidine |
Molecule Name in Refrence Article | 6m |
IUPAC Name | N-[3-chloro-4-(3-methylphenoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine |
Formula | C19H15ClN4O |
Mass | 350.802 |
Exact Mass | 350.0934388 |
Composition | C (65.05%), H (4.31%), Cl (10.11%), N (15.97%), O (4.56%) |
Atom Count | 40 |
PI | 9.61 |
Smiles | c1(c2[nH]ccc2ncn1)Nc1ccc(c(c1)Cl)Oc1cc(ccc1)C |
InChI | 1S/C19H15ClN4O/c1-12-3-2-4-14(9-12)25-17-6-5-13(10-15(17)20)24-19-18-16(7-8-21-18)22-11-23-19/h2-11,
21H,1H3,(H,22,23,24) |
InChIKey | HHAXMCRVXIYOJR-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004426.png) | Structure Backbone | ![](./frame/f_EGIN0004426.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 |
56851592
|
Drug Bank Link | - |
ChemSpider Link | 28480189 |
ChEMBL Link | CHEMBL1922999 |