General Information of the Compound
| Compound ID |
CP0424089
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| Compound Name |
1-[4,4-bis(4-methoxyphenyl)but-2-ynyl]piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C24H27NO4
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| Molecular Weight |
393.483
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| Canonical SMILES |
COc1ccc(cc1)C(C#CCN1CCCC(C1)C(O)=O)c1ccc(OC)cc1
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| InChI |
InChI=1S/C24H27NO4/c1-28-21-11-7-18(8-12-21)23(19-9-13-22(29-2)14-10-19)6-4-16-25-15-3-5-20(17-25)24(26)27/h7-14,20,23H,3,5,15-17H2,1-2H3,(H,26,27)
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| InChIKey |
IARWGATZMWCJAV-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: PT03076, Sodium- and chloride-dependent GABA transporter 3