General Property |
Molceule ID (DB) | EGIN0001790 |
Inhibitor Class | Thieno-pyrimidine |
Molecule Name in Refrence Article | 12 compound |
IUPAC Name | 1-N-methyl-4-N-{6-phenylthieno[3,2-d]pyrimidin-4-yl}benzene-1,4-diamine |
Formula | C19H16N4S |
Mass | 332.422 |
Exact Mass | 332.1095672 |
Composition | C (68.65%), H (4.85%), N (16.85%), S (9.65%) |
Atom Count | 40 |
PI | 10.96 |
Smiles | c12sc(cc2ncnc1Nc1ccc(NC)cc1)c1ccccc1 |
InChI | 1S/C19H16N4S/c1-20-14-7-9-15(10-8-14)23-19-18-16(21-12-22-19)11-17(24-18)13-5-3-2-4-6-13/h2-12,20H,1
H3,(H,21,22,23) |
InChIKey | CTZLRHLEDIPBSH-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 | 14684289 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | VEGFR | |
Pub Chem Link |
18382813
|
Drug Bank Link | - |
ChemSpider Link | 13367415 |
ChEMBL Link | CHEMBL312678 |