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Name | Caracurine V |
---|---|
Molecular formula | C38H40N4O2 |
IUPAC name | (1R,9R,16S,18R,19R,20S,21R,29R,36S,38R,39R,40S)-10,30-dioxa-8,15,28,35-tetrazatridecacyclo[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 | 584.764 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 0 |
XlogP | 3.9 |
Synonyms | AC1L52T9 CHEMBL380352 BDBM50025037 CHEBI:3382 630-87-5 [ Show all ] |
Inchi Key | CIRUUTNLDXXBKU-HCKBHOMASA-N |
Inchi ID | InChI=1S/C38H40N4O2/c1-3-7-27-25(5-1)37-11-13-39-19-21-10-16-44-36-31(23(21)17-29(37)39)33(37)41(27)35-32-24-18-30-38(12-14-40(30)20-22(24)9-15-43-35)26-6-2-4-8-28(26)42(36)34(32)38/h1-10,23-24,29-36H,11-20H2/t23-,24-,29-,30-,31+,32+,33-,34-,35+,36+,37+,38+/m0/s1 |
PubChem CID | 168927 |
ChEMBL | CHEMBL380352 |
IUPHAR | N/A |
BindingDB | 50025037 |
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 |
---|---|---|---|---|---|
42931 | Muscarinic acetylcholine receptor M2 | P06199 | CHRM2 | Sus scrofa (Pig) | 466 |
42932 | Muscarinic acetylcholine receptor M2 | P08172 | CHRM2 | Homo sapiens (Human) | 466 |
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