General Property |
Molceule ID (DB) | EGIN0004532 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 3c |
IUPAC Name | ol |
Formula | C24H26ClFN5O2 |
Mass | 470.947 |
Exact Mass | 470.175906 |
Composition | C (61.21%), H (5.56%), Cl (7.53%), F (4.03%), N (14.87%), O (6.79%) |
Atom Count | 59 |
PI | 8.89 |
Smiles | c1c(ccc2c1c(ncn2)Nc1cc(c(cc1)F)Cl)NC(=O)C1CC(N(C(C1)(C)C)[O])(C)C |
InChI | 1S/C24H26ClFN5O2/c1-23(2)11-14(12-24(3,4)31(23)33)22(32)30-15-6-8-20-17(9-15)21(28-13-27-20)29-16-5-
7-19(26)18(25)10-16/h5-10,13-14H,11-12H2,1-4H3,(H,30,32)(H,27,28,29) |
InChIKey | IOVAIZPMGLENIU-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004532.png) | Structure Backbone | ![](./frame/f_EGIN0004532.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 | 22309911 |
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 |
57381324
|
Drug Bank Link | - |
ChemSpider Link | 28431372 |
ChEMBL Link | CHEMBL1947124 |