General Information of the Compound
| Compound ID |
CP0390623
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| Compound Name |
1-[2-[(E)-[2-(2-fluoro-6-methoxyphenyl)phenyl]methylideneamino]oxyethyl]pyrrolidine-3-carboxylic acid;hydrochloride
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| Structure |
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| Formula |
C21H24ClFN2O4
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| Molecular Weight |
422.884
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| Canonical SMILES |
Cl.COc1cccc(F)c1-c1ccccc1\C=N\OCCN1CCC(C1)C(O)=O
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| InChI |
InChI=1S/C21H23FN2O4.ClH/c1-27-19-8-4-7-18(22)20(19)17-6-3-2-5-15(17)13-23-28-12-11-24-10-9-16(14-24)21(25)26;/h2-8,13,16H,9-12,14H2,1H3,(H,25,26);1H/b23-13+;
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| InChIKey |
AYXYVAACGRBCMO-PUZWSPMBSA-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