General Property |
Molceule ID (DB) | EGIN0003042 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 43 compound |
IUPAC Name | (2S)-N-{4-[(5-chloro-2H-1,3-benzodioxol-4-yl)amino]-7-(2-methoxyethoxy)quinazolin-6-yl}pyrrolidine-2-carboxamide |
Formula | C23H24ClN5O5 |
Mass | 485.92 |
Exact Mass | 485.1465966 |
Composition | C (56.85%), H (4.98%), Cl (7.3%), N (14.41%), O (16.46%) |
Atom Count | 58 |
PI | 10.5 |
Smiles | N1[C@@H](CCC1)C(=O)Nc1cc2c(ncnc2cc1OCCOC)Nc1c2OCOc2ccc1Cl |
InChI | 1S/C23H24ClN5O5/c1-31-7-8-32-19-10-16-13(9-17(19)28-23(30)15-3-2-6-25-15)22(27-11-26-16)29-20-14(24)
4-5-18-21(20)34-12-33-18/h4-5,9-11,15,25H,2-3,6-8,12H2,1H3,(H,28,30)(H,26,27,29)/t15-/m0/s1 |
InChIKey | PXVOZEZXKFLOOY-HNNXBMFYSA-N |
2D Structure | ![](./image/EGIN0003042.png) | Structure Backbone | ![](./frame/f_EGIN0003042.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 | 19321350 |
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 |
42630202
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Drug Bank Link | - |
ChemSpider Link | 24720154 |
ChEMBL Link | CHEMBL523122 |