General Information of the Compound
| Compound ID |
CP0392373
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| Compound Name |
1-[(E)-5,5,5-triphenylpent-2-enyl]piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C29H31NO2
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| Molecular Weight |
425.572
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| Canonical SMILES |
OC(=O)C1CCCN(C\C=C\CC(c2ccccc2)(c2ccccc2)c2ccccc2)C1
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| InChI |
InChI=1S/C29H31NO2/c31-28(32)24-13-12-22-30(23-24)21-11-10-20-29(25-14-4-1-5-15-25,26-16-6-2-7-17-26)27-18-8-3-9-19-27/h1-11,14-19,24H,12-13,20-23H2,(H,31,32)/b11-10+
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| InChIKey |
KZOXHIOCUVUEIW-ZHACJKMWSA-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