General Information of the Compound
| Compound ID |
CP0505031
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| Compound Name |
(3R)-1-Heptyl-3-{[(9-hydroxy-9H-fluoren-9-yl)carbonyl]-oxy}-1-azoniabicyclo[2.2.2]octane bromide
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| Structure |
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| Formula |
C28H36BrNO3
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| Molecular Weight |
514.504
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| Canonical SMILES |
[Br-].CCCCCCC[N+]12CCC(CC1)[C@H](C2)OC(=O)C1(O)c2ccccc2-c2ccccc12
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| InChI |
InChI=1S/C28H36NO3.BrH/c1-2-3-4-5-10-17-29-18-15-21(16-19-29)26(20-29)32-27(30)28(31)24-13-8-6-11-22(24)23-12-7-9-14-25(23)28;/h6-9,11-14,21,26,31H,2-5,10,15-20H2,1H3;1H/q+1;/p-1/t21?,26-,29?;/m0./s1
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| InChIKey |
RAJBLHVEYWFZKO-SUXARLGOSA-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