General Information of the Compound
| Compound ID |
CP0474184
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| Compound Name |
(3R,4S)-4-[(E)-5-(2-benzylphenyl)pent-4-enyl]piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C24H29NO2
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| Molecular Weight |
363.501
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| Canonical SMILES |
OC(=O)[C@H]1CNCC[C@@H]1CCC\C=C\c1ccccc1Cc1ccccc1
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| InChI |
InChI=1S/C24H29NO2/c26-24(27)23-18-25-16-15-21(23)13-6-2-5-11-20-12-7-8-14-22(20)17-19-9-3-1-4-10-19/h1,3-5,7-12,14,21,23,25H,2,6,13,15-18H2,(H,26,27)/b11-5+/t21-,23-/m0/s1
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| InChIKey |
AKXGWGRZWVHTLW-ITSHMZIZSA-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