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Name | CHEMBL3960082 |
---|---|
Molecular formula | C27H27ClN4O |
IUPAC name | (2R)-N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-[(5R,8S)-2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl]propanamide |
Molecular weight | 458.99 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 2 |
XlogP | 5.8 |
Synonyms | BDBM50200484 |
Inchi Key | BNLXSWAXHNDUIW-MDYRTPRTSA-N |
Inchi ID | InChI=1S/C27H27ClN4O/c1-15-8-11-20(25-19(15)12-9-16(2)29-25)17(3)27(33)30-18-10-13-22(28)21(14-18)26-31-23-6-4-5-7-24(23)32-26/h4-7,9-10,12-15,17,20H,8,11H2,1-3H3,(H,30,33)(H,31,32)/t15-,17-,20+/m1/s1 |
PubChem CID | 134155965 |
ChEMBL | CHEMBL3960082 |
IUPHAR | N/A |
BindingDB | 50200484 |
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 |
---|---|---|---|---|---|
548193 | Smoothened homolog | P56726 | Smo | Mus musculus (Mouse) | 793 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218