General Property |
Molceule ID (DB) | EGIN0001801 |
Inhibitor Class | Thieno-pyrimidine |
Molecule Name in Refrence Article | 23 compound |
IUPAC Name | 4-[(1H-indol-5-yl)amino]-N-propylthieno[3,2-d]pyrimidine-6-carboxamide |
Formula | C18H17N5OS |
Mass | 351.425 |
Exact Mass | 351.1153809 |
Composition | C (61.52%), H (4.88%), N (19.93%), O (4.55%), S (9.12%) |
Atom Count | 42 |
PI | 7.88 |
Smiles | c12sc(cc2ncnc1Nc1cc2c([nH]cc2)cc1)C(=O)NCCC |
InChI | 1S/C18H17N5OS/c1-2-6-20-18(24)15-9-14-16(25-15)17(22-10-21-14)23-12-3-4-13-11(8-12)5-7-19-13/h3-5,7-
10,19H,2,6H2,1H3,(H,20,24)(H,21,22,23) |
InChIKey | ZBMVTZKSSKNBMX-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 |
44317156
|
Drug Bank Link | - |
ChemSpider Link | 23169283 |
ChEMBL Link | CHEMBL421329 |