General Property |
Molceule ID (DB) | EGIN0004457 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 5l |
IUPAC Name | 8-[(4-methylphenyl)amino]-1-[3-(morpholin-4-yl)propyl]-1H,2H-[1,3]oxazolo[4,5-g]quinazolin-2-one |
Formula | C23H25N5O3 |
Mass | 419.4763 |
Exact Mass | 419.1957397 |
Composition | C (65.85%), H (6.01%), N (16.7%), O (11.44%) |
Atom Count | 56 |
PI | 11.46 |
Smiles | C1OCCN(C1)CCCn1c(=O)oc2c1cc1c(c2)ncnc1Nc1ccc(cc1)C |
InChI | 1S/C23H25N5O3/c1-16-3-5-17(6-4-16)26-22-18-13-20-21(14-19(18)24-15-25-22)31-23(29)28(20)8-2-7-27-9-1
1-30-12-10-27/h3-6,13-15H,2,7-12H2,1H3,(H,24,25,26) |
InChIKey | ZONDCYMVXIYHFJ-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 | 28519320 |
ChEMBL Link | - |