General Information of the Compound
| Compound ID |
CP0436977
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| Compound Name |
2,4-dichloro-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]benzamide
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| Structure |
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| Formula |
C23H22Cl2N2O
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| Molecular Weight |
413.348
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| Canonical SMILES |
Clc1ccc(C(=O)NC2CCN(Cc3ccc4ccccc4c3)CC2)c(Cl)c1
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| InChI |
InChI=1S/C23H22Cl2N2O/c24-19-7-8-21(22(25)14-19)23(28)26-20-9-11-27(12-10-20)15-16-5-6-17-3-1-2-4-18(17)13-16/h1-8,13-14,20H,9-12,15H2,(H,26,28)
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| InChIKey |
DZEGOFZJGREHGY-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