General Information of the Compound
| Compound ID |
CP0463253
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| Compound Name |
methyl 4-[[4-[(2,4-dichlorobenzoyl)amino]piperidin-1-yl]methyl]benzoate
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| Structure |
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| Formula |
C21H22Cl2N2O3
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| Molecular Weight |
421.324
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| Canonical SMILES |
COC(=O)c1ccc(CN2CCC(CC2)NC(=O)c2ccc(Cl)cc2Cl)cc1
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| InChI |
InChI=1S/C21H22Cl2N2O3/c1-28-21(27)15-4-2-14(3-5-15)13-25-10-8-17(9-11-25)24-20(26)18-7-6-16(22)12-19(18)23/h2-7,12,17H,8-11,13H2,1H3,(H,24,26)
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| InChIKey |
FUZAVUNXERGYBW-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