General Property |
Molceule ID (DB) | EGIN0002494 |
Inhibitor Class | Thieno-pyrimidine |
Molecule Name in Refrence Article | R-15 compound |
IUPAC Name | 1-(3-{[(1R)-2-hydroxy-1-phenylethyl]amino}-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-11-yl)prop-2-en-1-one |
Formula | C20H20N4O2S |
Mass | 380.463 |
Exact Mass | 380.1306966 |
Composition | C (63.14%), H (5.3%), N (14.73%), O (8.41%), S (8.43%) |
Atom Count | 47 |
PI | 9.1 |
Smiles | n1cnc(N[C@@H](CO)c2ccccc2)c2c1sc1c2CCN(C1)C(=O)C=C |
InChI | 1S/C20H20N4O2S/c1-2-17(26)24-9-8-14-16(10-24)27-20-18(14)19(21-12-22-20)23-15(11-25)13-6-4-3-5-7-13/
h2-7,12,15,25H,1,8-11H2,(H,21,22,23)/t15-/m0/s1 |
InChIKey | YAFRPXJMYXBTOY-HNNXBMFYSA-N |
2D Structure | ![](./image/EGIN0002494.png) | Structure Backbone | ![](./frame/f_EGIN0002494.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 | 20961149 |
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 |
49788365
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Drug Bank Link | - |
ChemSpider Link | 26364035 |
ChEMBL Link | CHEMBL1272168 |