| General Property |
| Molceule ID (DB) | EGIN0003429 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 15 compound |
| IUPAC Name | N-(5-chloro-2H-1,3-benzodioxol-4-yl)-5-(oxan-4-yloxy)-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-4-amine |
| Formula | C27H31ClN4O5 |
| Mass | 527.012 |
| Exact Mass | 526.1982978 |
| Composition | C (61.53%), H (5.93%), Cl (6.73%), N (10.63%), O (15.18%) |
| Atom Count | 68 |
| PI | 10.52 |
| Smiles | c1c(cc2c(c1OC1CCOCC1)c(ncn2)Nc1c(ccc2c1OCO2)Cl)OCCCN1CCCC1 |
| InChI | 1S/C27H31ClN4O5/c28-20-4-5-22-26(36-17-35-22)25(20)31-27-24-21(29-16-30-27)14-19(34-11-3-10-32-8-1-2
-9-32)15-23(24)37-18-6-12-33-13-7-18/h4-5,14-16,18H,1-3,6-13,17H2,(H,29,30,31) |
| InChIKey | HLILQABBLFGERM-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 | 17064066 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | c-Src | CDK2 | Flt4 | Flt1 | VEGFR2 | Csk | c-Yes | FGFR1 | Lck | Aurora-3 | ALL |
| Pub Chem Link |
10301884
|
| Drug Bank Link | - |
| ChemSpider Link | 8477350 |
| ChEMBL Link | CHEMBL217090 |
