General Information of the Compound
| Compound ID |
CP0461786
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| Compound Name |
2,4-dichloro-N-[1-[(4-iodophenyl)methyl]piperidin-4-yl]benzamide
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| Structure |
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| Formula |
C19H19Cl2IN2O
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| Molecular Weight |
489.184
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| Canonical SMILES |
Clc1ccc(C(=O)NC2CCN(Cc3ccc(I)cc3)CC2)c(Cl)c1
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| InChI |
InChI=1S/C19H19Cl2IN2O/c20-14-3-6-17(18(21)11-14)19(25)23-16-7-9-24(10-8-16)12-13-1-4-15(22)5-2-13/h1-6,11,16H,7-10,12H2,(H,23,25)
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| InChIKey |
VQIVYGDQMREAIS-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