General Property |
Molceule ID (DB) | EGIN0004447 |
Inhibitor Class | Pyrrolo-pyrimidine |
Molecule Name in Refrence Article | 6a |
IUPAC Name | N-(3-chloro-4-phenoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine |
Formula | C18H13ClN4O |
Mass | 336.775 |
Exact Mass | 336.0777888 |
Composition | C (64.19%), H (3.89%), Cl (10.53%), N (16.64%), O (4.75%) |
Atom Count | 37 |
PI | 9.61 |
Smiles | c1(c2[nH]ccc2ncn1)Nc1ccc(c(c1)Cl)Oc1ccccc1 |
InChI | 1S/C18H13ClN4O/c19-14-10-12(6-7-16(14)24-13-4-2-1-3-5-13)23-18-17-15(8-9-20-17)21-11-22-18/h1-11,20H
,(H,21,22,23) |
InChIKey | ZXNLHZGFHDHRCO-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004447.png) | Structure Backbone | ![](./frame/f_EGIN0004447.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 |
56851290
|
Drug Bank Link | - |
ChemSpider Link | 28480183 |
ChEMBL Link | CHEMBL1922897 |