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Name | CHEMBL3604623 |
---|---|
Molecular formula | C22H16Cl2N4OS |
IUPAC name | 3-chloro-N-[2-chloro-5-[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]pyridin-3-yl]benzamide |
Molecular weight | 455.357 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 6.2 |
Synonyms | BDBM50113487 |
Inchi Key | IACDQKWPLBPDSV-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H16Cl2N4OS/c23-15-3-1-2-13(8-15)21(29)27-18-9-14(11-25-20(18)24)12-4-7-17-19(10-12)30-22(28-17)26-16-5-6-16/h1-4,7-11,16H,5-6H2,(H,26,28)(H,27,29) |
PubChem CID | 122185881 |
ChEMBL | CHEMBL3604623 |
IUPHAR | N/A |
BindingDB | 50113487 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
478723 | Smoothened homolog | P56726 | Smo | Mus musculus (Mouse) | 793 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218