General Information of the Compound
| Compound ID |
CP0437989
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| Compound Name |
1-[(E)-4-hydroxy-4,4-bis(4-methoxyphenyl)but-2-enyl]piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C24H29NO5
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| Molecular Weight |
411.498
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| Canonical SMILES |
COc1ccc(cc1)C(O)(\C=C\CN1CCCC(C1)C(O)=O)c1ccc(OC)cc1
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| InChI |
InChI=1S/C24H29NO5/c1-29-21-10-6-19(7-11-21)24(28,20-8-12-22(30-2)13-9-20)14-4-16-25-15-3-5-18(17-25)23(26)27/h4,6-14,18,28H,3,5,15-17H2,1-2H3,(H,26,27)/b14-4+
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| InChIKey |
ZFWTUBHHNRCUQC-LNKIKWGQSA-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