General Information of the Compound
| Compound ID |
CP0880755
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| Compound Name |
8,8-dimethyl-3-(phenyl-thiophen-3-ylmethyl-carbamoyloxy)-8-azonia-bicyclo[3.2.1]octane bromide
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| Formula |
C21H27BrN2O2S
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| Molecular Weight |
451.43
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| Canonical SMILES |
C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)N(Cc1ccsc1)c1ccccc1)C2.[Br-]
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| InChI |
InChI=1S/C21H27N2O2S.BrH/c1-23(2)18-8-9-19(23)13-20(12-18)25-21(24)22(14-16-10-11-26-15-16)17-6-4-3-5-7-17;/h3-7,10-11,15,18-20H,8-9,12-14H2,1-2H3;1H/q+1;/p-1/t18-,19+,20+;
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| InChIKey |
FEKGKRQIFNAJIN-BWSPSPBFSA-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