General Property |
Molceule ID (DB) | EGIN0004439 |
Inhibitor Class | Pyrrolo-pyrimidine |
Molecule Name in Refrence Article | 6e |
IUPAC Name | N-[3-chloro-4-(3-chlorophenoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine |
Formula | C18H12Cl2N4O |
Mass | 371.22 |
Exact Mass | 370.0388164 |
Composition | C (58.24%), H (3.26%), Cl (19.1%), N (15.09%), O (4.31%) |
Atom Count | 37 |
PI | 9.61 |
Smiles | c1(c2[nH]ccc2ncn1)Nc1ccc(c(c1)Cl)Oc1cc(ccc1)Cl |
InChI | 1S/C18H12Cl2N4O/c19-11-2-1-3-13(8-11)25-16-5-4-12(9-14(16)20)24-18-17-15(6-7-21-17)22-10-23-18/h1-10
,21H,(H,22,23,24) |
InChIKey | OXAZPVDJCIJPFP-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
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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 |
56851430
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Drug Bank Link | - |
ChemSpider Link | 28481697 |
ChEMBL Link | CHEMBL1921812 |