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Name | CHEMBL412718 |
---|---|
Molecular formula | C56H62N4O6+2 |
IUPAC name | (9R,16S,18R,19R,20S,29R,36S,38R,39R,40S)-15,35-bis[(3,4-dimethoxyphenyl)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 |
Molecular weight | 887.134 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 0 |
XlogP | 6.8 |
Synonyms | CHEMBL1185419 BDBM50093898 |
Inchi Key | CECAKDDCVJSYQL-DQRYCHJHSA-N |
Inchi ID | InChI=1S/C56H62N4O6/c1-61-43-15-13-33(25-45(43)63-3)29-59-21-19-55-39-9-5-7-11-41(39)57-51(55)49-37(27-47(55)59)35(31-59)17-23-65-53(49)58-42-12-8-6-10-40(42)56-20-22-60(30-34-14-16-44(62-2)46(26-34)64-4)32-36-18-24-66-54(57)50(52(56)58)38(36)28-48(56)60/h5-18,25-26,37-38,47-54H,19-24,27-32H2,1-4H3/q+2/t37-,38-,47-,48-,49+,50+,51-,52-,53+,54+,55?,56?,59?,60?/m0/s1 |
PubChem CID | 44319263 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50093898 |
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 |
---|---|---|---|---|---|
39758 | Muscarinic acetylcholine receptor M2 | P06199 | CHRM2 | Sus scrofa (Pig) | 466 |
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