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Ligand

NameCHEMBL3897838
Molecular formulaC32H42N4O4
IUPAC nameN-[(2S)-3-cyclohexyl-1-[[(2S)-3,3-dimethyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylbutan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
Molecular weight546.712
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP6.5
SynonymsN/A
Inchi KeyDSBJWFRQCLUNQW-AHKZPQOWSA-N
Inchi IDInChI=1S/C32H42N4O4/c1-31(2,3)27(30(39)36-19-16-32(17-20-36)15-13-23-11-7-8-12-24(23)32)35-28(37)25(21-22-9-5-4-6-10-22)34-29(38)26-14-18-33-40-26/h7-8,11-15,18,22,25,27H,4-6,9-10,16-17,19-21H2,1-3H3,(H,34,38)(H,35,37)/t25-,27+/m0/s1
PubChem CID134133951
ChEMBLCHEMBL3897838
IUPHARN/A
BindingDBN/A
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
548687Proteinase-activated receptor 2P55085F2RL1Homo sapiens (Human)397

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