General Information of the Compound
| Compound ID |
CP0474990
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| Compound Name |
2,4-dichloro-N-[1-[(2-cyanophenyl)methyl]piperidin-4-yl]benzamide
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| Structure |
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| Formula |
C20H19Cl2N3O
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| Molecular Weight |
388.298
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| Canonical SMILES |
Clc1ccc(C(=O)NC2CCN(Cc3ccccc3C#N)CC2)c(Cl)c1
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| InChI |
InChI=1S/C20H19Cl2N3O/c21-16-5-6-18(19(22)11-16)20(26)24-17-7-9-25(10-8-17)13-15-4-2-1-3-14(15)12-23/h1-6,11,17H,7-10,13H2,(H,24,26)
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| InChIKey |
PNVHAOFCDKXBDN-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