General Information of the Compound
| Compound ID |
CP0560170
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| Compound Name |
2-[2-[4-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylphenoxy]ethyl-methylamino]acetic acid
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| Structure |
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| Formula |
C22H21NO5S
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| Molecular Weight |
411.479
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| Canonical SMILES |
CN(CCOc1ccc(cc1-c1cccs1)-c1ccc2OCOc2c1)CC(O)=O
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| InChI |
InChI=1S/C22H21NO5S/c1-23(13-22(24)25)8-9-26-18-6-4-15(11-17(18)21-3-2-10-29-21)16-5-7-19-20(12-16)28-14-27-19/h2-7,10-12H,8-9,13-14H2,1H3,(H,24,25)
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| InChIKey |
WPFANTQSQQKQPP-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