General Information of the Compound
| Compound ID |
CP0844751
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| Compound Name |
3-[(3-methoxy-benzyl)-phenyl-carbamoyloxy]-8,8-dimethyl-8-azonia-bicyclo[3.2.1]octane bromide
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| Formula |
C24H31BrN2O3
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| Molecular Weight |
475.427
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| Canonical SMILES |
COc1cccc(CN(C(=O)O[C@@H]2C[C@H]3CC[C@@H](C2)[N+]3(C)C)c2ccccc2)c1.[Br-]
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| InChI |
InChI=1S/C24H31N2O3.BrH/c1-26(2)20-12-13-21(26)16-23(15-20)29-24(27)25(19-9-5-4-6-10-19)17-18-8-7-11-22(14-18)28-3;/h4-11,14,20-21,23H,12-13,15-17H2,1-3H3;1H/q+1;/p-1/t20-,21+,23-;
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| InChIKey |
ONEZZACKTANODU-OUUFYCGQSA-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