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Name | CHEMBL2311018 |
---|---|
Molecular formula | C52H54N4O2+2 |
IUPAC name | (1S,9R,15R,16S,18R,19R,20S,21S,29R,35R,36S,38R,39R,40S)-15,35-dibenzyl-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 |
Molecular weight | 767.03 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 0 |
XlogP | 7.0 |
Synonyms | CHEMBL2365146 BDBM50421416 4,4'-Dibenzylcaracurine V-4,4'-diium |
Inchi Key | IXWVDIIFVCHSRO-KUAGRDSLSA-N |
Inchi ID | InChI=1S/C52H54N4O2/c1-3-11-33(12-4-1)29-55-23-21-51-39-15-7-9-17-41(39)53-47(51)45-37(27-43(51)55)35(31-55)19-25-57-49(45)54-42-18-10-8-16-40(42)52-22-24-56(30-34-13-5-2-6-14-34)32-36-20-26-58-50(53)46(48(52)54)38(36)28-44(52)56/h1-20,37-38,43-50H,21-32H2/q+2/t37-,38-,43-,44-,45+,46+,47-,48-,49+,50+,51+,52+,55+,56+/m0/s1 |
PubChem CID | 71717892 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50421416 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
144360 | Muscarinic acetylcholine receptor M2 | P06199 | CHRM2 | Sus scrofa (Pig) | 466 |
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