General Information of the Compound
| Compound ID |
CP0956567
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| Compound Name |
(R)-3-(1-(cyclopenta-1,3-dienyl)cycloheptanecarbonyloxy)-1-(3-(2,6-dimethylpyridin-3-yl)propyl)-1-azoniabicyclo[2.2.2]octane
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| Structure |
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| Formula |
C30H43N2O2+
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| Molecular Weight |
463.686
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| Canonical SMILES |
Cc1ccc(CCC[N+]23CCC(CC2)[C@@H](OC(=O)C2(C4=CC=CC4)CCCCCC2)C3)c(C)n1
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| InChI |
InChI=1S/C30H43N2O2/c1-23-13-14-25(24(2)31-23)10-9-19-32-20-15-26(16-21-32)28(22-32)34-29(33)30(27-11-5-6-12-27)17-7-3-4-8-18-30/h5-6,11,13-14,26,28H,3-4,7-10,12,15-22H2,1-2H3/q+1/t26?,28-,32?/m0/s1
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| InChIKey |
LVHKGMAYXOTDSE-AJXMQQCNSA-N
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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