General Information of the Compound
| Compound ID |
CP0505078
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| Compound Name |
({2-[4-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-2-thiophen-2-yl-phenoxy]-ethyl}-methyl-amino)-acetic acid
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| Structure |
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| Formula |
C23H23NO5S
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| Molecular Weight |
425.506
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| Canonical SMILES |
CN(CCOc1ccc(cc1-c1cccs1)-c1ccc2OCCOc2c1)CC(O)=O
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| InChI |
InChI=1S/C23H23NO5S/c1-24(15-23(25)26)8-9-27-19-6-4-16(13-18(19)22-3-2-12-30-22)17-5-7-20-21(14-17)29-11-10-28-20/h2-7,12-14H,8-11,15H2,1H3,(H,25,26)
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| InChIKey |
MYGATJNXEVNVDR-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