General Information of the Compound
| Compound ID |
CP0891718
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| Compound Name |
(R)-3-(phenyl(thiophen-2-ylmethyl)carbamoyloxy)-1-(3-(thiophen-2-yl)propyl)-1-azoniabicyclo[2.2.2]octane bromide
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| Structure |
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| Formula |
C26H31BrN2O2S2
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| Molecular Weight |
547.584
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| Canonical SMILES |
O=C(O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)N(Cc1cccs1)c1ccccc1.[Br-]
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| InChI |
InChI=1S/C26H31N2O2S2.BrH/c29-26(27(19-24-11-6-18-32-24)22-7-2-1-3-8-22)30-25-20-28(15-12-21(25)13-16-28)14-4-9-23-10-5-17-31-23;/h1-3,5-8,10-11,17-18,21,25H,4,9,12-16,19-20H2;1H/q+1;/p-1/t21?,25-,28?;/m0./s1
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| InChIKey |
NBAFBTBCPVIPLO-OCJYMVTRSA-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