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Name | CHEMBL433343 |
---|---|
Molecular formula | C44H46N4O2+2 |
IUPAC name | (9R,16S,18R,19R,20S,29R,36S,38R,39R,40S)-15,35-bis(prop-2-ynyl)-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 | 662.878 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 0 |
XlogP | 4.2 |
Synonyms | CHEMBL1185797 BDBM50093893 |
Inchi Key | IHOLCPSYHIAYNX-LZPAYGKFSA-N |
Inchi ID | InChI=1S/C44H46N4O2/c1-3-17-47-19-15-43-31-9-5-7-11-33(31)45-39(43)37-29(23-35(43)47)27(25-47)13-21-49-41(37)46-34-12-8-6-10-32(34)44-16-20-48(18-4-2)26-28-14-22-50-42(45)38(40(44)46)30(28)24-36(44)48/h1-2,5-14,29-30,35-42H,15-26H2/q+2/t29-,30-,35-,36-,37+,38+,39-,40-,41+,42+,43?,44?,47?,48?/m0/s1 |
PubChem CID | 44319178 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50093893 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
133430 | Muscarinic acetylcholine receptor M2 | P06199 | CHRM2 | Sus scrofa (Pig) | 466 |
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