General Property |
Molceule ID (DB) | EGIN0005215 |
Inhibitor Class | Pyrimidine |
Molecule Name in Refrence Article | 8 |
IUPAC Name | - |
Formula | C21H16ClN5O |
Mass | 389.838 |
Exact Mass | 389.104337866 |
Composition | C (64.7%), H (4.14%), Cl (9.09%), N (17.96%), O (4.1%) |
Atom Count | 44 |
PI | 7.21 |
Smiles | [H]C([H])=C([H])C(=O)N([H])C1=C([H])C([H])=C([H])C(N([H])C2=NC([H])=C(Cl)C(=N2)C2=C([H])N([H])C3=C([H])C([H])=C([H])C([H])=C23)=C1[H] |
InChI | 1S/C21H16ClN5O/c1-2-19(28)25-13-6-5-7-14(10-13)26-21-24-12-17(22)20(27-21)16-11-23-18-9-4-3-8-15(16)
18/h2-12,23H,1H2,(H,25,28)(H,24,26,27) |
InChIKey | YQNWGXWTMAOGAE-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 | 23930994 |
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 |
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |