General Information of the Compound
| Compound ID |
CP0444999
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| Compound Name |
({2-[2'-chloro-5-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-biphenyl-2-yloxy]-ethyl}-methyl-amino)-acetic acid
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| Structure |
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| Formula |
C25H24ClNO5
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| Molecular Weight |
453.922
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| Canonical SMILES |
CN(CCOc1ccc(cc1-c1ccccc1Cl)-c1ccc2OCCOc2c1)CC(O)=O
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| InChI |
InChI=1S/C25H24ClNO5/c1-27(16-25(28)29)10-11-30-22-8-6-17(14-20(22)19-4-2-3-5-21(19)26)18-7-9-23-24(15-18)32-13-12-31-23/h2-9,14-15H,10-13,16H2,1H3,(H,28,29)
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| InChIKey |
AGISHHMJNYUOPX-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