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Name | CHEMBL331543 |
---|---|
Molecular formula | C44H50Br2N4O2 |
IUPAC name | (2E)-2-[(1S,9R,16S,18R,21S,29Z,31S,37S)-15,34-bis(prop-2-enyl)-10-oxa-8,28-diaza-15,34-diazoniadodecacyclo[29.5.2.215,21.11,30.02,7.09,19.013,18.016,21.020,28.022,27.034,37.08,39]hentetraconta-2,4,6,12,22,24,26,29-octaen-32-ylidene]ethanol;dibromide |
Molecular weight | 826.718 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | None |
Synonyms | N/A |
Inchi Key | GTKQVXGEVGRQTE-FVILBSJLSA-L |
Inchi ID | InChI=1S/C44H50N4O2.2BrH/c1-3-17-47-19-15-43-34-10-6-8-12-36(34)46-40(43)32(30(23-37(43)47)28(26-47)13-21-49)25-45-35-11-7-5-9-33(35)44-16-20-48(18-4-2)27-29-14-22-50-42(46)39(41(44)45)31(29)24-38(44)48;;/h3-14,25,30-31,37-42,49H,1-2,15-24,26-27H2;2*1H/q+2;;/p-2/b28-13-,32-25-;;/t30-,31-,37-,38-,39?,40?,41?,42+,43+,44+,47?,48?;;/m0../s1 |
PubChem CID | 44345793 |
ChEMBL | CHEMBL331543 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
104939 | Muscarinic acetylcholine receptor M2 | P06199 | CHRM2 | Sus scrofa (Pig) | 466 |
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