General Property |
Molceule ID (DB) | EGIN0005205 |
Inhibitor Class | Pteridine |
Molecule Name in Refrence Article | WZ4002 |
IUPAC Name | 3â€[(5â€chloroâ€2â€{[2â€methoxyâ€4â€(piperazinâ€1â€yl)phenyl]amino}pyrimidinâ€4â€yl)oxy]phenyl propâ€2â€enoate |
Formula | C24H24ClN5O4 |
Mass | 481.931 |
Exact Mass | 481.151681988 |
Composition | C (59.81%), H (5.02%), Cl (7.36%), N (14.53%), O (13.28%) |
Atom Count | 58 |
PI | 10.96 |
Smiles | [H]C([H])=C([H])C(=O)OC1=C([H])C([H])=C([H])C(OC2=C(Cl)C([H])=NC(=N2)N([H])C2=C(OC([H])([H])[H])C([H])=C(C([H])=C2[H])N2C([H])([H])C([H])([H])N([H])C([H])([H])C2([H])[H])=C1[H] |
InChI | 1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-
3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) |
InChIKey | ITTRLTNMFYIYPA-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0005205.png) | Structure Backbone | ![](./frame/f_EGIN0005205.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 | 24053674 |
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 | - |