General Property |
Molceule ID (DB) | EGIN0005218 |
Inhibitor Class | Pyrimidine |
Molecule Name in Refrence Article | 11 |
IUPAC Name | - |
Formula | C24H20ClN5O2 |
Mass | 445.901 |
Exact Mass | 445.130552616 |
Composition | C (64.65%), H (4.52%), Cl (7.95%), N (15.71%), O (7.18%) |
Atom Count | 52 |
PI | 6.44 |
Smiles | [H]C([H])=C([H])C(=O)N1C2=C(C([H])=C(OC([H])([H])[H])C(N([H])C3=NC([H])=C(Cl)C(=N3)C3=C([H])N([H])C4=C([H])C([H])=C([H])C([H])=C34)=C2[H])C([H])([H])C1([H])[H] |
InChI | 1S/C24H20ClN5O2/c1-3-22(31)30-9-8-14-10-21(32-2)19(11-20(14)30)28-24-27-13-17(25)23(29-24)16-12-26-1
8-7-5-4-6-15(16)18/h3-7,10-13,26H,1,8-9H2,2H3,(H,27,28,29) |
InChIKey | FHGXREVAXMGQHY-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 | - |