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Name | CHEMBL3974265 |
---|---|
Molecular formula | C30H30N2O5 |
IUPAC name | benzyl 4-[(1-hexyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate |
Molecular weight | 498.579 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 6.2 |
Synonyms | SCHEMBL8541962 Benzyl 4-(1-hexyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxamido)benzoate Benzyl 4-(1-hexyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamido)benzoate GIKUJDCVWYROLZ-UHFFFAOYSA-N BDBM50196086 |
Inchi Key | GIKUJDCVWYROLZ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C30H30N2O5/c1-2-3-4-10-19-32-25-14-9-8-13-24(25)27(33)26(29(32)35)28(34)31-23-17-15-22(16-18-23)30(36)37-20-21-11-6-5-7-12-21/h5-9,11-18,33H,2-4,10,19-20H2,1H3,(H,31,34) |
PubChem CID | 67618850 |
ChEMBL | CHEMBL3974265 |
IUPHAR | N/A |
BindingDB | 50196086 |
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 |
---|---|---|---|---|---|
538394 | Smoothened homolog | P56726 | Smo | Mus musculus (Mouse) | 793 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218