General Information of the Compound
| Compound ID |
CP0464909
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| Compound Name |
2-[methyl-[2-(4-phenyl-2-thiophen-3-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-c1ccsc1)-c1ccccc1)CC(O)=O
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| InChI |
InChI=1S/C21H21NO3S/c1-22(14-21(23)24)10-11-25-20-8-7-17(16-5-3-2-4-6-16)13-19(20)18-9-12-26-15-18/h2-9,12-13,15H,10-11,14H2,1H3,(H,23,24)
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| InChIKey |
WMCOGESGAIXVRP-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