General Information of the Compound
| Compound ID |
CP0390316
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| Compound Name |
(3S)-1-[2-[(4-methoxy-2-methylphenyl)-bis(4-methoxyphenyl)methoxy]ethyl]piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C31H37NO6
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| Molecular Weight |
519.638
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| Canonical SMILES |
COc1ccc(cc1)C(OCCN1CCC[C@@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1C
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| InChI |
InChI=1S/C31H37NO6/c1-22-20-28(37-4)15-16-29(22)31(24-7-11-26(35-2)12-8-24,25-9-13-27(36-3)14-10-25)38-19-18-32-17-5-6-23(21-32)30(33)34/h7-16,20,23H,5-6,17-19,21H2,1-4H3,(H,33,34)/t23-/m0/s1
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| InChIKey |
GPMXCWRTQWGABQ-QHCPKHFHSA-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
Protein ID: PT02526, Sodium- and chloride-dependent GABA transporter 3