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Ligand

NameCHEMBL3932079
Molecular formulaC32H40F6N4O5
IUPAC nameN-[(2S)-1-[[(2S,3S)-1-[4-[2,4-bis(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
Molecular weight674.685
Hydrogen bond acceptor12
Hydrogen bond donor3
XlogP6.6
SynonymsN/A
Inchi KeyIRPMODOGHYKQTK-YLORPAJWSA-N
Inchi IDInChI=1S/C32H40F6N4O5/c1-3-19(2)26(41-27(43)24(17-20-7-5-4-6-8-20)40-28(44)25-11-14-39-47-25)29(45)42-15-12-30(46,13-16-42)22-10-9-21(31(33,34)35)18-23(22)32(36,37)38/h9-11,14,18-20,24,26,46H,3-8,12-13,15-17H2,1-2H3,(H,40,44)(H,41,43)/t19-,24-,26-/m0/s1
PubChem CID134138592
ChEMBLCHEMBL3932079
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This 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
549664Proteinase-activated receptor 2P55085F2RL1Homo sapiens (Human)397

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