General Property |
Molceule ID (DB) | EGIN0004475 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 5b |
IUPAC Name | 8-[(3-ethynylphenyl)amino]-1-[3-(morpholin-4-yl)propyl]-1H,2H-[1,3]oxazolo[4,5-g]quinazolin-2-one |
Formula | C24H23N5O3 |
Mass | 429.4711 |
Exact Mass | 429.1800896 |
Composition | C (67.12%), H (5.4%), N (16.31%), O (11.18%) |
Atom Count | 55 |
PI | 11.13 |
Smiles | C1OCCN(C1)CCCn1c(=O)oc2c1cc1c(c2)ncnc1Nc1cc(ccc1)C#C |
InChI | 1S/C24H23N5O3/c1-2-17-5-3-6-18(13-17)27-23-19-14-21-22(15-20(19)25-16-26-23)32-24(30)29(21)8-4-7-28-
9-11-31-12-10-28/h1,3,5-6,13-16H,4,7-12H2,(H,25,26,27) |
InChIKey | XBUNTIFKJLRDJJ-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 | No activity data against other kinases present in database |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 28509898 |
ChEMBL Link | - |