General Information of the Compound
| Compound ID |
CP0440313
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| Compound Name |
1-[(Z)-4,4-bis(4-methoxyphenyl)-4-thiophen-3-ylbut-2-enyl]piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C28H31NO4S
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| Molecular Weight |
477.626
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| Canonical SMILES |
COc1ccc(cc1)C(\C=C/CN1CCCC(C1)C(O)=O)(c1ccsc1)c1ccc(OC)cc1
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| InChI |
InChI=1S/C28H31NO4S/c1-32-25-10-6-22(7-11-25)28(24-14-18-34-20-24,23-8-12-26(33-2)13-9-23)15-4-17-29-16-3-5-21(19-29)27(30)31/h4,6-15,18,20-21H,3,5,16-17,19H2,1-2H3,(H,30,31)/b15-4-
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| InChIKey |
HNJPWFZNUDBUJY-TVPGTPATSA-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