General Information of the Compound
| Compound ID |
CP0560437
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| Compound Name |
1-[4,4,5-tris(4-methoxyphenyl)pent-2-ynyl]piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C32H35NO5
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| Molecular Weight |
513.634
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| Canonical SMILES |
COc1ccc(CC(C#CCN2CCCC(C2)C(O)=O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
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| InChI |
InChI=1S/C32H35NO5/c1-36-28-13-7-24(8-14-28)22-32(26-9-15-29(37-2)16-10-26,27-11-17-30(38-3)18-12-27)19-5-21-33-20-4-6-25(23-33)31(34)35/h7-18,25H,4,6,20-23H2,1-3H3,(H,34,35)
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| InChIKey |
FQIFNDZFJZGLNV-UHFFFAOYSA-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