| General Property |
| Molceule ID (DB) | EGIN0004276 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 19d compound |
| IUPAC Name | (2S)-N-{4-[(3-chloro-2,4-difluorophenyl)amino]-7-(2-methoxyethoxy)quinazolin-6-yl}-1-(prop-2-enoyl)pyrrolidine-2-carboxamide |
| Formula | C25H24ClF2N5O4 |
| Mass | 531.939 |
| Exact Mass | 531.1484884 |
| Composition | C (56.45%), H (4.55%), Cl (6.66%), F (7.14%), N (13.17%), O (12.03%) |
| Atom Count | 61 |
| PI | 7.99 |
| Smiles | c1(c(cc2c(c1)c(ncn2)Nc1c(c(c(cc1)F)Cl)F)OCCOC)NC(=O)[C@@H]1CCCN1C(=O)C=C |
| InChI | 1S/C25H24ClF2N5O4/c1-3-21(34)33-8-4-5-19(33)25(35)32-18-11-14-17(12-20(18)37-10-9-36-2)29-13-30-24(1
4)31-16-7-6-15(27)22(26)23(16)28/h3,6-7,11-13,19H,1,4-5,8-10H2,2H3,(H,32,35)(H,29,30,31)/t19-/m0/s1 |
| InChIKey | JTLHPKSZESHKCP-IBGZPJMESA-N |
| 2D Structure |  | Structure Backbone |  |
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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 | 19888761 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | Abl1 | Lck | Ret | Src | Akt1 | Aurora B | CDK2 | FGFR1 | FLT3 | IGF1R | Kit | MAPK1 | Met | PDGFR beta | PDGFRR | PKC alpha | Flt1 | Raf1 | FGFR2 | Tek | Flt4 | KDR | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 24635461 |
| ChEMBL Link | CHEMBL569880 |
