| General Property |
| Molceule ID (DB) | EGIN0004071 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 46 compound |
| IUPAC Name | N-(3-fluorophenyl)-2-{2-[(7-{3-[4-(hydroxymethyl)piperidin-1-yl]propoxy}-6-methoxyquinazolin-4-yl)amino]-1,3-thiazol-5-yl}acetamide |
| Formula | C29H33FN6O4S |
| Mass | 580.674 |
| Exact Mass | 580.2268025 |
| Composition | C (59.98%), H (5.73%), F (3.27%), N (14.47%), O (11.02%), S (5.52%) |
| Atom Count | 74 |
| PI | 9.02 |
| Smiles | c1(c(cc2c(c1)c(ncn2)Nc1sc(cn1)CC(=O)Nc1cc(ccc1)F)OCCCN1CC[C@H](CC1)CO)OC |
| InChI | 1S/C29H33FN6O4S/c1-39-25-14-23-24(15-26(25)40-11-3-8-36-9-6-19(17-37)7-10-36)32-18-33-28(23)35-29-31
-16-22(41-29)13-27(38)34-21-5-2-4-20(30)12-21/h2,4-5,12,14-16,18-19,37H,3,6-11,13,17H2,1H3,(H,34,38)
(H,31,32,33,35) |
| InChIKey | QNJAKUMXJFWQOG-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| 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 | 16451062 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | JNK1A | P38A | PKA | KDR | IGFR | CSK | JAK3 | SRC | FAK | CDK2 | FGFR | ALL |
| Pub Chem Link |
9916282
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | CHEMBL201307 |
