| General Property |
| Molceule ID (DB) | EGIN0000568 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 40 compound |
| IUPAC Name | {2-butyl-4-chloro-1-[3-({7-methoxy-4-[(4-methoxyphenyl)amino]quinazolin-6-yl}oxy)propyl]-1H-imidazol-5-yl}methanol |
| Formula | C27H32ClN5O4 |
| Mass | 526.027 |
| Exact Mass | 525.2142822 |
| Composition | C (61.65%), H (6.13%), Cl (6.74%), N (13.31%), O (12.17%) |
| Atom Count | 69 |
| PI | 9.53 |
| Smiles | c12c(cc(c(c1)OCCCn1c(nc(c1CO)Cl)CCCC)OC)ncnc2Nc1ccc(cc1)OC |
| InChI | 1S/C27H32ClN5O4/c1-4-5-7-25-32-26(28)22(16-34)33(25)12-6-13-37-24-14-20-21(15-23(24)36-3)29-17-30-27
(20)31-18-8-10-19(35-2)11-9-18/h8-11,14-15,17,34H,4-7,12-13,16H2,1-3H3,(H,29,30,31) |
| InChIKey | DPXLXSPHAZGOMK-UHFFFAOYSA-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 | 18771819 |
| 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 | 24622917 |
| ChEMBL Link | CHEMBL557644 |
