General Information of the Compound
| Compound ID |
CP0906593
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| Compound Name |
(R)-3-(1-(cyclopenta-1,3-dienyl)cycloheptanecarbonyloxy)-1-(3,4-difluorobenzyl)-1-azoniabicyclo[2.2.2]octane
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| Structure |
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| Formula |
C27H34F2NO2+
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| Molecular Weight |
442.57
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| Canonical SMILES |
O=C(O[C@H]1C[N+]2(Cc3ccc(F)c(F)c3)CCC1CC2)C1(C2=CC=CC2)CCCCCC1
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| InChI |
InChI=1S/C27H34F2NO2/c28-23-10-9-20(17-24(23)29)18-30-15-11-21(12-16-30)25(19-30)32-26(31)27(22-7-3-4-8-22)13-5-1-2-6-14-27/h3-4,7,9-10,17,21,25H,1-2,5-6,8,11-16,18-19H2/q+1/t21?,25-,30?/m0/s1
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| InChIKey |
LDEZNTSKWRFAHD-NRFUFCHMSA-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