| General Property |
| Molceule ID (DB) | EGIN0004275 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 19c compound |
| IUPAC Name | (2S)-N-{4-[(3-chloro-2-fluorophenyl)amino]-7-(2-methoxyethoxy)quinazolin-6-yl}-1-(prop-2-enoyl)pyrrolidine-2-carboxamide |
| Formula | C25H25ClFN5O4 |
| Mass | 513.949 |
| Exact Mass | 513.1579102 |
| Composition | C (58.42%), H (4.9%), Cl (6.9%), F (3.7%), N (13.63%), O (12.45%) |
| Atom Count | 61 |
| PI | 7.99 |
| Smiles | c1(c(cc2c(c1)c(ncn2)Nc1c(c(ccc1)Cl)F)OCCOC)NC(=O)[C@@H]1CCCN1C(=O)C=C |
| InChI | 1S/C25H25ClFN5O4/c1-3-22(33)32-9-5-8-20(32)25(34)31-19-12-15-18(13-21(19)36-11-10-35-2)28-14-29-24(1
5)30-17-7-4-6-16(26)23(17)27/h3-4,6-7,12-14,20H,1,5,8-11H2,2H3,(H,31,34)(H,28,29,30)/t20-/m0/s1 |
| InChIKey | TXSZGBMOPCXBTP-FQEVSTJZSA-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 | Akt1 | Aurora B | CDK2 | FGFR1 | Flt1 | FLT3 | IGF1R | Kit | MAPK1 | Met | PDGFR beta | PDGFR alpha | PKC alpha | Raf1 | KDR | Flt4 | Lck | FGFR2 | Abl1 | Tek | Ret | Src | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 24635111 |
| ChEMBL Link | CHEMBL571040 |
