General Property |
Molceule ID (DB) | EGIN0004471 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 5c |
IUPAC Name | ethyl 4-({1-[3-(morpholin-4-yl)propyl]-2-oxo-1H,2H-[1,3]oxazolo[4,5-g]quinazolin-8-yl}amino)benzoate |
Formula | C25H27N5O5 |
Mass | 477.5124 |
Exact Mass | 477.201219 |
Composition | C (62.88%), H (5.7%), N (14.67%), O (16.75%) |
Atom Count | 62 |
PI | 10.67 |
Smiles | C1OCCN(C1)CCCn1c(=O)oc2c1cc1c(c2)ncnc1Nc1ccc(cc1)C(=O)OCC |
InChI | 1S/C25H27N5O5/c1-2-34-24(31)17-4-6-18(7-5-17)28-23-19-14-21-22(15-20(19)26-16-27-23)35-25(32)30(21)9
-3-8-29-10-12-33-13-11-29/h4-7,14-16H,2-3,8-13H2,1H3,(H,26,27,28) |
InChIKey | GVSVSAQRMKOFQW-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 | 22818848 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | Src | |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 28521752 |
ChEMBL Link | - |