General Property |
Molceule ID (DB) | EGIN0002484 |
Inhibitor Class | Thieno-pyrimidine |
Molecule Name in Refrence Article | 9 compound |
IUPAC Name | (2S)-2-phenyl-2-({8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-yl}amino)ethan-1-ol |
Formula | C18H19N3OS |
Mass | 325.428 |
Exact Mass | 325.1248829 |
Composition | C (66.43%), H (5.88%), N (12.91%), O (4.92%), S (9.85%) |
Atom Count | 42 |
PI | 9.33 |
Smiles | c1(c2c(ncn1)sc1c2CCCC1)N[C@H](CO)c1ccccc1 |
InChI | 1S/C18H19N3OS/c22-10-14(12-6-2-1-3-7-12)21-17-16-13-8-4-5-9-15(13)23-18(16)20-11-19-17/h1-3,6-7,11,1
4,22H,4-5,8-10H2,(H,19,20,21)/t14-/m1/s1 |
InChIKey | RKXBEEIQSIDVHS-CQSZACIVSA-N |
2D Structure | ![](./image/EGIN0002484.png) | Structure Backbone | ![](./frame/f_EGIN0002484.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 |
49788361
|
Drug Bank Link | - |
ChemSpider Link | 26362185 |
ChEMBL Link | CHEMBL1271950 |