General Information of the Compound
| Compound ID |
CP0132465
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| Compound Name |
1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine
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| Structure |
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| Formula |
C22H28N2O3
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| Molecular Weight |
368.477
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| Canonical SMILES |
CC(C)Oc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1
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| InChI |
InChI=1S/C22H28N2O3/c1-17(2)27-20-6-4-3-5-19(20)24-13-11-23(12-14-24)10-9-18-7-8-21-22(15-18)26-16-25-21/h3-8,15,17H,9-14,16H2,1-2H3
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| InChIKey |
QKEDXCZOTAWVEF-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