General Information of the Compound
| Compound ID |
CP0393112
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| Compound Name |
1-[5,5,5-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(cc1)C(CC#CCN1CCCC(C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1
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| InChI |
InChI=1S/C32H35NO5/c1-36-28-14-8-25(9-15-28)32(26-10-16-29(37-2)17-11-26,27-12-18-30(38-3)19-13-27)20-4-5-21-33-22-6-7-24(23-33)31(34)35/h8-19,24H,6-7,20-23H2,1-3H3,(H,34,35)
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| InChIKey |
IQUOGZUZHTZRQR-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: PT03705, Sodium- and chloride-dependent GABA transporter 2
Protein ID: PT03076, Sodium- and chloride-dependent GABA transporter 3