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Ligand

NameCHEMBL115642
Molecular formulaC36H44N2O6S
IUPAC name[4-[4-[(4R,5R)-2-[4-(4-methoxyphenyl)sulfonylphenyl]-4,5-dimethyl-1,3-dioxolan-2-yl]piperidin-1-yl]piperidin-1-yl]-(2-methylphenyl)methanone
Molecular weight632.816
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP5.6
Synonyms2-Methylphenyl[4-[4-[(4R)-2-[4-(4-methoxyphenylsulfonyl)phenyl]-4alpha,5beta-dimethyl-1,3-dioxolane-2-yl]piperidino]piperidino] ketone
(4-{(4R,5R)-2-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-4,5-dimethyl-[1,3]dioxolan-2-yl}-[1,4'']bipiperidinyl-1''-yl)-o-tolyl-methanone
BDBM50121122
Inchi KeyCPGXIQUYLPQZQK-KAYWLYCHSA-N
Inchi IDInChI=1S/C36H44N2O6S/c1-25-7-5-6-8-34(25)35(39)38-23-19-30(20-24-38)37-21-17-29(18-22-37)36(43-26(2)27(3)44-36)28-9-13-32(14-10-28)45(40,41)33-15-11-31(42-4)12-16-33/h5-16,26-27,29-30H,17-24H2,1-4H3/t26-,27-/m1/s1
PubChem CID44344029
ChEMBLCHEMBL115642
IUPHARN/A
BindingDB50121122
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
47329Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466

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