General Information of the Compound
| Compound ID |
CP0417613
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| Compound Name |
2,4-dichloro-N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]benzamide
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| Structure |
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| Formula |
C19H19Cl2N3O3
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| Molecular Weight |
408.285
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| Canonical SMILES |
[O-][N+](=O)c1ccc(CN2CCC(CC2)NC(=O)c2ccc(Cl)cc2Cl)cc1
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| InChI |
InChI=1S/C19H19Cl2N3O3/c20-14-3-6-17(18(21)11-14)19(25)22-15-7-9-23(10-8-15)12-13-1-4-16(5-2-13)24(26)27/h1-6,11,15H,7-10,12H2,(H,22,25)
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| InChIKey |
FRCMFWOHRKPGFG-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