General Information of the Compound
| Compound ID |
CP0873788
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| Compound Name |
N-Endo-3-(2-cyano-2,2-diphenylethyl)-8-methyl-8-octyl-8-azoniabicyclo[3.2.1]octane bromide
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| Formula |
C31H43BrN2
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| Molecular Weight |
523.603
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| Canonical SMILES |
CCCCCCCC[N@+]1(C)C2CCC1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2.[Br-]
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| InChI |
InChI=1S/C31H43N2.BrH/c1-3-4-5-6-7-14-21-33(2)29-19-20-30(33)23-26(22-29)24-31(25-32,27-15-10-8-11-16-27)28-17-12-9-13-18-28;/h8-13,15-18,26,29-30H,3-7,14,19-24H2,1-2H3;1H/q+1;/p-1/t26-,29?,30?,33-;
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| InChIKey |
NKNXKMRFPHQTBE-NDNKGBFRSA-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