General Information of the Compound
| Compound ID |
CP0935481
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| Compound Name |
(R)-3-(1-(cyclopenta-1,3-dienyl)cycloheptanecarbonyloxy)-1-(3-methoxybenzyl)-1-azoniabicyclo[2.2.2]octane
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| Structure |
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| Formula |
C28H38NO3+
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| Molecular Weight |
436.616
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| Canonical SMILES |
COc1cccc(C[N+]23CCC(CC2)[C@@H](OC(=O)C2(C4=CC=CC4)CCCCCC2)C3)c1
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| InChI |
InChI=1S/C28H38NO3/c1-31-25-12-8-9-22(19-25)20-29-17-13-23(14-18-29)26(21-29)32-27(30)28(24-10-4-5-11-24)15-6-2-3-7-16-28/h4-5,8-10,12,19,23,26H,2-3,6-7,11,13-18,20-21H2,1H3/q+1/t23?,26-,29?/m0/s1
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| InChIKey |
VBESUWMOLJOGJN-JOMKWTIYSA-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