General Information of the Compound
| Compound ID |
CP0307245
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| Compound Name |
1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-ethoxyphenyl)piperazine
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| Structure |
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| Formula |
C21H26N2O3
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| Molecular Weight |
354.45
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| Canonical SMILES |
CCOc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1
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| InChI |
InChI=1S/C21H26N2O3/c1-2-24-19-6-4-3-5-18(19)23-13-11-22(12-14-23)10-9-17-7-8-20-21(15-17)26-16-25-20/h3-8,15H,2,9-14,16H2,1H3
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| InChIKey |
WDIPOFXLEMHBJM-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