General Information of the Compound
| Compound ID |
CP0436978
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| Compound Name |
2,4-dichloro-N-(1-phenacylpiperidin-4-yl)benzamide
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| Structure |
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| Formula |
C20H20Cl2N2O2
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| Molecular Weight |
391.298
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| Canonical SMILES |
Clc1ccc(C(=O)NC2CCN(CC(=O)c3ccccc3)CC2)c(Cl)c1
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| InChI |
InChI=1S/C20H20Cl2N2O2/c21-15-6-7-17(18(22)12-15)20(26)23-16-8-10-24(11-9-16)13-19(25)14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2,(H,23,26)
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| InChIKey |
FHULZJDOOVPBCW-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