General Property |
Molceule ID (DB) | EGIN0004449 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 5z |
IUPAC Name | 8-[(4-tert-butylphenyl)amino]-1-[3-(morpholin-4-yl)propyl]-1H,2H-[1,3]oxazolo[4,5-g]quinazolin-2-one |
Formula | C26H31N5O3 |
Mass | 461.556 |
Exact Mass | 461.2426899 |
Composition | C (67.66%), H (6.77%), N (15.17%), O (10.4%) |
Atom Count | 65 |
PI | 11.4 |
Smiles | C1OCCN(C1)CCCn1c(=O)oc2c1cc1c(c2)ncnc1Nc1ccc(cc1)C(C)(C)C |
InChI | 1S/C26H31N5O3/c1-26(2,3)18-5-7-19(8-6-18)29-24-20-15-22-23(16-21(20)27-17-28-24)34-25(32)31(22)10-4-
9-30-11-13-33-14-12-30/h5-8,15-17H,4,9-14H2,1-3H3,(H,27,28,29) |
InChIKey | VBQRWKQKLUNGCA-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004449.png) | Structure Backbone | ![](./frame/f_EGIN0004449.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 | 28522099 |
ChEMBL Link | - |