General Information of the Compound
| Compound ID |
CP0511692
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| Compound Name |
({2-[3',4'-dimethyl-3-(thiophene-2-carbonyl)-biphenyl-4-yloxy]-ethyl}-methyl-amino)-acetic acid
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| Structure |
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| Formula |
C24H25NO4S
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| Molecular Weight |
423.534
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| Canonical SMILES |
CN(CCOc1ccc(cc1C(=O)c1cccs1)-c1ccc(C)c(C)c1)CC(O)=O
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| InChI |
InChI=1S/C24H25NO4S/c1-16-6-7-18(13-17(16)2)19-8-9-21(29-11-10-25(3)15-23(26)27)20(14-19)24(28)22-5-4-12-30-22/h4-9,12-14H,10-11,15H2,1-3H3,(H,26,27)
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| InChIKey |
SNJJMYGYWOSPNT-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