General Information of the Compound
| Compound ID |
CP0875566
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| Compound Name |
(1R,2R)/(1S,2S)-2-(3R)/(3S)-Hydroxypyrrolidinyl]-1-(3,4-dimethoxyphenethoxy)cyclohexane monohydrochloride
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| Structure |
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| Formula |
C20H32ClNO4
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| Molecular Weight |
385.932
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| Canonical SMILES |
COc1ccc(CCOC2CCCCC2N2CCC(O)C2)cc1OC.Cl
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| InChI |
InChI=1S/C20H31NO4.ClH/c1-23-19-8-7-15(13-20(19)24-2)10-12-25-18-6-4-3-5-17(18)21-11-9-16(22)14-21;/h7-8,13,16-18,22H,3-6,9-12,14H2,1-2H3;1H
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| InChIKey |
JMHYCBFEEFHTMK-UHFFFAOYSA-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
Protein ID: PT02768, Potassium voltage-gated channel subfamily A member 5
Protein ID: PT06066, Potassium voltage-gated channel subfamily D member 2
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha