General Information of the Compound
| Compound ID |
CP0884350
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| Compound Name |
rac-3-(4,4,4-tris(4-methoxyphenyl)but-2-enylamino)butanoic acid
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| Structure |
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| Formula |
C29H33NO5
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| Molecular Weight |
475.585
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| Canonical SMILES |
COc1ccc(C(/C=C/CNC(C)CC(=O)O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
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| InChI |
InChI=1S/C29H33NO5/c1-21(20-28(31)32)30-19-5-18-29(22-6-12-25(33-2)13-7-22,23-8-14-26(34-3)15-9-23)24-10-16-27(35-4)17-11-24/h5-18,21,30H,19-20H2,1-4H3,(H,31,32)/b18-5+
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| InChIKey |
XLQATTZTRJREOA-BLLMUTORSA-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: PT03705, Sodium- and chloride-dependent GABA transporter 2
Protein ID: PT03076, Sodium- and chloride-dependent GABA transporter 3