General Information of the Compound
| Compound ID |
CP0240495
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| Compound Name |
1-(2-ethoxyphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine
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| Structure |
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| Formula |
C21H28N2O2
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| Molecular Weight |
340.467
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| Canonical SMILES |
CCOc1ccccc1N1CCN(CCc2cccc(OC)c2)CC1
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| InChI |
InChI=1S/C21H28N2O2/c1-3-25-21-10-5-4-9-20(21)23-15-13-22(14-16-23)12-11-18-7-6-8-19(17-18)24-2/h4-10,17H,3,11-16H2,1-2H3
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| InChIKey |
MLGVJRUWZGCRQT-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: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor