General Information of the Compound
| Compound ID |
CP0499035
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| Compound Name |
(3R)-1-Heptyl-3-{[hydroxy(di-2-thienyl)acetyl]oxy}-1-azoniabicyclo[2.2.2]octane bromide
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| Structure |
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| Formula |
C24H34BrNO3S2
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| Molecular Weight |
528.578
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| Canonical SMILES |
[Br-].CCCCCCC[N+]12CCC(CC1)[C@H](C2)OC(=O)C(O)(c1cccs1)c1cccs1
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| InChI |
InChI=1S/C24H34NO3S2.BrH/c1-2-3-4-5-6-13-25-14-11-19(12-15-25)20(18-25)28-23(26)24(27,21-9-7-16-29-21)22-10-8-17-30-22;/h7-10,16-17,19-20,27H,2-6,11-15,18H2,1H3;1H/q+1;/p-1/t19?,20-,25?;/m0./s1
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| InChIKey |
OEKSMYDGWZJQDC-VQRHYKMASA-M
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3