General Information of the Compound
| Compound ID |
CP0524552
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| Compound Name |
1-[(Z)-4,4,4-tris(4-methoxyphenyl)but-2-enyl]piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C31H35NO5
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| Molecular Weight |
501.623
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| Canonical SMILES |
COc1ccc(cc1)C(\C=C/CN1CCCC(C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1
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| InChI |
InChI=1S/C31H35NO5/c1-35-27-13-7-24(8-14-27)31(25-9-15-28(36-2)16-10-25,26-11-17-29(37-3)18-12-26)19-5-21-32-20-4-6-23(22-32)30(33)34/h5,7-19,23H,4,6,20-22H2,1-3H3,(H,33,34)/b19-5-
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| InChIKey |
RNLUGOUUDNQOGZ-IPKBDRFQSA-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