General Information of the Compound
| Compound ID |
CP0461828
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| Compound Name |
N-(1-benzylpiperidin-4-yl)-1,3-benzodioxole-5-carboxamide
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| Structure |
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| Formula |
C20H22N2O3
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| Molecular Weight |
338.407
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| Canonical SMILES |
O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C20H22N2O3/c23-20(16-6-7-18-19(12-16)25-14-24-18)21-17-8-10-22(11-9-17)13-15-4-2-1-3-5-15/h1-7,12,17H,8-11,13-14H2,(H,21,23)
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| InChIKey |
XSVNPOMPSPGRRX-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: PT02527, Sodium- and chloride-dependent betaine transporter
Protein ID: PT02528, Sodium- and chloride-dependent GABA transporter 1
Protein ID: PT05696, Sodium- and chloride-dependent GABA transporter 2
Protein ID: PT02526, Sodium- and chloride-dependent GABA transporter 3