General Information of the Compound
| Compound ID |
CP0391421
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| Compound Name |
1-[2-[(E)-[2-(2,4-dichlorophenyl)phenyl]methylideneamino]oxyethyl]pyrrolidine-3-carboxylic acid;hydrochloride
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| Structure |
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| Formula |
C20H21Cl3N2O3
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| Molecular Weight |
443.758
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| Canonical SMILES |
Cl.OC(=O)C1CCN(CCO\N=C\c2ccccc2-c2ccc(Cl)cc2Cl)C1
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| InChI |
InChI=1S/C20H20Cl2N2O3.ClH/c21-16-5-6-18(19(22)11-16)17-4-2-1-3-14(17)12-23-27-10-9-24-8-7-15(13-24)20(25)26;/h1-6,11-12,15H,7-10,13H2,(H,25,26);1H/b23-12+;
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| InChIKey |
MZNPTTQFPOIFFO-RRHSQXQGSA-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: PT03285, Sodium- and chloride-dependent GABA transporter 1
Protein ID: PT03705, Sodium- and chloride-dependent GABA transporter 2
Protein ID: PT03076, Sodium- and chloride-dependent GABA transporter 3