General Information of the Compound
| Compound ID |
CP0464854
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| Compound Name |
({2-[4-benzo[1,3]dioxol-5-yl-2-(thiophene-2-carbonyl)-phenoxy]-ethyl}-methyl-amino)-acetic acid
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| Structure |
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| Formula |
C23H21NO6S
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| Molecular Weight |
439.489
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| Canonical SMILES |
CN(CCOc1ccc(cc1C(=O)c1cccs1)-c1ccc2OCOc2c1)CC(O)=O
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| InChI |
InChI=1S/C23H21NO6S/c1-24(13-22(25)26)8-9-28-18-6-4-15(11-17(18)23(27)21-3-2-10-31-21)16-5-7-19-20(12-16)30-14-29-19/h2-7,10-12H,8-9,13-14H2,1H3,(H,25,26)
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| InChIKey |
ORVWECBJFICHMX-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