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Ligand

NameCHEMBL598095
Molecular formulaC25H23Cl3N6O2
IUPAC name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4-(1,2,4-triazol-1-ylmethyl)pyrazole-3-carboxamide
Molecular weight545.849
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.4
SynonymsBDBM50310041
4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-((1S,2S)-2-hydroxycyclohexyl)-1Hpyrazole-3-carboxamide
Inchi KeyAEMUPACUOBYQEJ-UNMCSNQZSA-N
Inchi IDInChI=1S/C25H23Cl3N6O2/c26-16-7-5-15(6-8-16)24-18(12-33-14-29-13-30-33)23(25(36)31-20-3-1-2-4-22(20)35)32-34(24)21-10-9-17(27)11-19(21)28/h5-11,13-14,20,22,35H,1-4,12H2,(H,31,36)/t20-,22-/m0/s1
PubChem CID46231339
ChEMBLCHEMBL598095
IUPHARN/A
BindingDB50310041
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3647Cannabinoid receptor 1P20272Cnr1Rattus norvegicus (Rat)473

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