General Information of the Compound
| Compound ID |
CP0390312
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| Compound Name |
1-[2-[bis(4-methoxy-2-methylphenyl)-(4-methoxyphenyl)methoxy]ethyl]piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C32H39NO6
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| Molecular Weight |
533.665
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| Canonical SMILES |
COc1ccc(cc1)C(OCCN1CCCC(C1)C(O)=O)(c1ccc(OC)cc1C)c1ccc(OC)cc1C
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| InChI |
InChI=1S/C32H39NO6/c1-22-19-27(37-4)12-14-29(22)32(25-8-10-26(36-3)11-9-25,30-15-13-28(38-5)20-23(30)2)39-18-17-33-16-6-7-24(21-33)31(34)35/h8-15,19-20,24H,6-7,16-18,21H2,1-5H3,(H,34,35)
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| InChIKey |
MYCVXSNMMSWHHG-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: 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