General Information of the Compound
| Compound ID |
CP0392642
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| Compound Name |
1-[(E)-4,4,4-tris(4-methylphenyl)but-2-enyl]piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C31H35NO2
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| Molecular Weight |
453.626
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| Canonical SMILES |
Cc1ccc(cc1)C(\C=C\CN1CCCC(C1)C(O)=O)(c1ccc(C)cc1)c1ccc(C)cc1
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| InChI |
InChI=1S/C31H35NO2/c1-23-7-13-27(14-8-23)31(28-15-9-24(2)10-16-28,29-17-11-25(3)12-18-29)19-5-21-32-20-4-6-26(22-32)30(33)34/h5,7-19,26H,4,6,20-22H2,1-3H3,(H,33,34)/b19-5+
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| InChIKey |
OIMVETHFAJVHME-PTXOJBNSSA-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