General Property |
Molceule ID (DB) | EGIN0002010 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 12 compound |
IUPAC Name | (2S)-2-{[4-({1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}amino)quinazolin-5-yl]oxy}-N,N-dimethylpropanamide |
Formula | C27H25FN6O2 |
Mass | 484.5248 |
Exact Mass | 484.2023023 |
Composition | C (66.93%), H (5.2%), F (3.92%), N (17.34%), O (6.6%) |
Atom Count | 61 |
PI | 9.63 |
Smiles | c12c(cccc1ncnc2Nc1cc2c(cc1)n(nc2)Cc1cccc(c1)F)O[C@H](C(=O)N(C)C)C |
InChI | InChI=1S/C27H25FN6O2/c1-17(27(35)33(2)3)36-24-9-5-8-22-25(24)26(30-16-29-22)32-21-10-11-23-19(13-21)
14-31-34(23)15-18-6-4-7-20(28)12-18/h4-14,16-17H,15H2,1-3H3,(H,29,30,32)/t17-/m0/s1 |
InChIKey | InChIKey=BBJFDODASSZYKE-KRWDZBQOSA-N |
2D Structure | ![](./image/EGIN0002010.png) | Structure Backbone | ![](./frame/f_EGIN0002010.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 | 18313293 |
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 |
16117483
|
Drug Bank Link | - |
ChemSpider Link | 17274700 |
ChEMBL Link | CHEMBL256784 |