General Property |
Molceule ID (DB) | EGIN0003932 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 5 compound |
IUPAC Name | 2-benzyl-N-[(1R)-1-phenylethyl]thieno[3,2-d]pyrimidin-4-amine |
Formula | C21H19N3S |
Mass | 345.461 |
Exact Mass | 345.1299683 |
Composition | C (73.01%), H (5.54%), N (12.16%), S (9.28%) |
Atom Count | 44 |
PI | 10.01 |
Smiles | C(c1ccccc1)c1nc(c2sccc2n1)N[C@@H](c1ccccc1)C |
InChI | 1S/C21H19N3S/c1-15(17-10-6-3-7-11-17)22-21-20-18(12-13-25-20)23-19(24-21)14-16-8-4-2-5-9-16/h2-13,15
H,14H2,1H3,(H,22,23,24)/t15-/m1/s1 |
InChIKey | YQKYJQISDZSSPX-OAHLLOKOSA-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 | 11520212 |
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 | - |
ChEMBL Link | - |