General Information of the Compound
| Compound ID |
CP0404028
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| Compound Name |
2-(4-benzhydrylpiperidin-1-yl)-N-benzyl-4-hydroxybutanamide
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| Structure |
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| Formula |
C29H34N2O2
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| Molecular Weight |
442.603
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| Canonical SMILES |
OCCC(N1CCC(CC1)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C29H34N2O2/c32-21-18-27(29(33)30-22-23-10-4-1-5-11-23)31-19-16-26(17-20-31)28(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26-28,32H,16-22H2,(H,30,33)
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| InChIKey |
GFJMOTDXBODBMP-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: PT03285, Sodium- and chloride-dependent GABA transporter 1
Protein ID: PT03076, Sodium- and chloride-dependent GABA transporter 3