General Information of the Compound
| Compound ID |
CP0464858
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| Compound Name |
2-[2-[4-(4-methoxy-3-methylphenyl)-2-thiophen-2-ylphenoxy]ethyl-methylamino]acetic acid
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| Structure |
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| Formula |
C23H25NO4S
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| Molecular Weight |
411.523
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| Canonical SMILES |
COc1ccc(cc1C)-c1ccc(OCCN(C)CC(O)=O)c(c1)-c1cccs1
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| InChI |
InChI=1S/C23H25NO4S/c1-16-13-17(6-8-20(16)27-3)18-7-9-21(19(14-18)22-5-4-12-29-22)28-11-10-24(2)15-23(25)26/h4-9,12-14H,10-11,15H2,1-3H3,(H,25,26)
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| InChIKey |
YITORKLHYYYKMH-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