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Ligand

NameCHEMBL511907
Molecular formulaC25H27Cl3N4O
IUPAC name4-tert-butyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide
Molecular weight505.868
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP7.8
SynonymsBDBM50413757
Inchi KeyAGUKQCZHXHAYCS-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H27Cl3N4O/c1-25(2,3)21-22(24(33)30-31-13-5-4-6-14-31)29-32(20-12-11-18(27)15-19(20)28)23(21)16-7-9-17(26)10-8-16/h7-12,15H,4-6,13-14H2,1-3H3,(H,30,33)
PubChem CID44574122
ChEMBLCHEMBL511907
IUPHARN/A
BindingDB50413757
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
5224Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472

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