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Ligand

NameCHEMBL412670
Molecular formulaC54H52Br2F6N4O2
IUPAC name(9R,16S,18R,19R,20S,29R,36S,38R,39R,40S)-15,35-bis[[4-(trifluoromethyl)phenyl]methyl]-10,30-dioxa-8,28-diaza-15,35-diazoniatridecacyclo[33.5.2.215,21.01,36.02,7.08,40.09,19.013,18.016,21.020,28.022,27.029,39.033,38]tetratetraconta-2,4,6,12,22,24,26,32-octaene;dibromide
Molecular weight1062.83
Hydrogen bond acceptor12
Hydrogen bond donor0
XlogPNone
SynonymsN/A
Inchi KeyARCCHOYHLJTPMW-FRTADFCCSA-L
Inchi IDInChI=1S/C54H52F6N4O2.2BrH/c55-53(56,57)35-13-9-31(10-14-35)27-63-21-19-51-39-5-1-3-7-41(39)61-47(51)45-37(25-43(51)63)33(29-63)18-24-66-50(45)62-42-8-4-2-6-40(42)52-20-22-64(28-32-11-15-36(16-12-32)54(58,59)60)30-34-17-23-65-49(61)46(48(52)62)38(34)26-44(52)64;;/h1-18,37-38,43-50H,19-30H2;2*1H/q+2;;/p-2/t37-,38-,43-,44-,45+,46+,47-,48-,49+,50+,51?,52?,63?,64?;;/m0../s1
PubChem CID44318814
ChEMBLCHEMBL412670
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.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
12287Muscarinic acetylcholine receptor M2P06199CHRM2Sus scrofa (Pig)466

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