General Information of the Compound
| Compound ID |
CP0502048
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| Compound Name |
({2-[3',4'-dimethoxy-3-(thiophene-2-carbonyl)-biphenyl-4-yloxy]-ethyl}-methyl-amino)-acetic acid
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| Structure |
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| Formula |
C24H25NO6S
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| Molecular Weight |
455.532
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| Canonical SMILES |
COc1ccc(cc1OC)-c1ccc(OCCN(C)CC(O)=O)c(c1)C(=O)c1cccs1
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| InChI |
InChI=1S/C24H25NO6S/c1-25(15-23(26)27)10-11-31-19-8-6-16(13-18(19)24(28)22-5-4-12-32-22)17-7-9-20(29-2)21(14-17)30-3/h4-9,12-14H,10-11,15H2,1-3H3,(H,26,27)
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| InChIKey |
LSNLZPMACWFGQW-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