General Information of the Compound
| Compound ID |
CP0510358
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| Compound Name |
2,4-dichloro-N-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]benzamide
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| Structure |
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| Formula |
C21H22Cl2N2O
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| Molecular Weight |
389.326
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| Canonical SMILES |
Clc1ccc(C(=O)NC2CCN(C\C=C\c3ccccc3)CC2)c(Cl)c1
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| InChI |
InChI=1S/C21H22Cl2N2O/c22-17-8-9-19(20(23)15-17)21(26)24-18-10-13-25(14-11-18)12-4-7-16-5-2-1-3-6-16/h1-9,15,18H,10-14H2,(H,24,26)/b7-4+
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| InChIKey |
BXIRJEUENUYXJG-QPJJXVBHSA-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