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Ligand

NameCHEMBL1940368
Molecular formulaC31H36N4O3S
IUPAC name[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-[(1S,2S,4R)-4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-2-thiophen-3-ylcyclohexyl]methanone
Molecular weight544.714
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.2
SynonymsBDBM50362436
Inchi KeyXCTOVKLMGQYVBN-UFLJZRJVSA-N
Inchi IDInChI=1S/C31H36N4O3S/c1-21(22-7-10-25(37-2)11-8-22)32-24-9-12-26(27(19-24)23-13-18-39-20-23)30(36)34-14-16-35(17-15-34)31-33-28-5-3-4-6-29(28)38-31/h3-8,10-11,13,18,20-21,24,26-27,32H,9,12,14-17,19H2,1-2H3/t21-,24-,26+,27-/m1/s1
PubChem CID57391304
ChEMBLCHEMBL1940368
IUPHARN/A
BindingDB50362436
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
388615Neuropeptides B/W receptor type 1P49681Npbwr1Mus musculus (Mouse)329

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