General Information of the Compound
| Compound ID |
CP0505081
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| Compound Name |
2-[methyl-[2-(4-phenyl-2-thiophen-2-ylphenoxy)ethyl]amino]acetic acid
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| Structure |
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| Formula |
C21H21NO3S
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| Molecular Weight |
367.47
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| Canonical SMILES |
CN(CCOc1ccc(cc1-c1cccs1)-c1ccccc1)CC(O)=O
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| InChI |
InChI=1S/C21H21NO3S/c1-22(15-21(23)24)11-12-25-19-10-9-17(16-6-3-2-4-7-16)14-18(19)20-8-5-13-26-20/h2-10,13-14H,11-12,15H2,1H3,(H,23,24)
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| InChIKey |
XNKGZBQFNQDZKQ-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: PT02185, Sodium- and chloride-dependent glycine transporter 1
Protein ID: PT01521, Sodium- and chloride-dependent glycine transporter 2