General Information of the Compound
| Compound ID |
CP0894658
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| Compound Name |
(3-endo)-3-(2,2-Di-2-thienylethenyl)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane Bromide
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| Formula |
C19H24BrNS2
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| Molecular Weight |
410.446
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| Canonical SMILES |
C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](C=C(c1cccs1)c1cccs1)C2.[Br-]
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| InChI |
InChI=1S/C19H24NS2.BrH/c1-20(2)15-7-8-16(20)12-14(11-15)13-17(18-5-3-9-21-18)19-6-4-10-22-19;/h3-6,9-10,13-16H,7-8,11-12H2,1-2H3;1H/q+1;/p-1/t14-,15+,16-;
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| InChIKey |
BWOXSKDDWQTJRH-ZIGIEQIVSA-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