General Property |
Molceule ID (DB) | EGIN0004456 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 5m |
IUPAC Name | 8-({4-[(4-chlorophenyl)methoxy]phenyl}amino)-1-[3-(morpholin-4-yl)propyl]-1H,2H-[1,3]oxazolo[4,5-g]quinazolin-2-one |
Formula | C29H28ClN5O4 |
Mass | 546.017 |
Exact Mass | 545.1829821 |
Composition | C (63.79%), H (5.17%), Cl (6.49%), N (12.83%), O (11.72%) |
Atom Count | 67 |
PI | 11.5 |
Smiles | C1OCCN(C1)CCCn1c(=O)oc2c1cc1c(c2)ncnc1Nc1ccc(cc1)OCc1ccc(cc1)Cl |
InChI | 1S/C29H28ClN5O4/c30-21-4-2-20(3-5-21)18-38-23-8-6-22(7-9-23)33-28-24-16-26-27(17-25(24)31-19-32-28)3
9-29(36)35(26)11-1-10-34-12-14-37-15-13-34/h2-9,16-17,19H,1,10-15,18H2,(H,31,32,33) |
InChIKey | JSGQKTYZIOFSIG-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004456.png) | Structure Backbone | ![](./frame/f_EGIN0004456.png) |
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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 | 22818848 |
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 | 28519321 |
ChEMBL Link | - |