General Property |
Molceule ID (DB) | EGIN0000025 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 15 compound |
IUPAC Name | (3R)-4-({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)morpholine-3-carboxamide |
Formula | C21H21ClFN5O3 |
Mass | 445.875 |
Exact Mass | 445.1316955 |
Composition | C (56.57%), H (4.75%), Cl (7.95%), F (4.26%), N (15.71%), O (10.76%) |
Atom Count | 52 |
PI | 8.97 |
Smiles | c12cc(c(cc1ncnc2Nc1cccc(c1F)Cl)OC)CN1[C@H](COCC1)C(=O)N |
InChI | 1S/C21H21ClFN5O3/c1-30-18-8-16-13(7-12(18)9-28-5-6-31-10-17(28)20(24)29)21(26-11-25-16)27-15-4-2-3-1
4(22)19(15)23/h2-4,7-8,11,17H,5-6,9-10H2,1H3,(H2,24,29)(H,25,26,27)/t17-/m1/s1 |
InChIKey | MRMPJCJPMMLVBE-QGZVFWFLSA-N |
2D Structure | ![](./image/EGIN0000025.png) | Structure Backbone | ![](./frame/f_EGIN0000025.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 | 16516473 |
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 | 23269763 |
ChEMBL Link | CHEMBL207674 |