General Information of the Compound
| Compound ID |
CP0444995
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| Compound Name |
2-[2-[2-(3-chlorophenyl)-4-phenylphenoxy]ethyl-methylamino]acetic acid
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| Structure |
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| Formula |
C23H22ClNO3
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| Molecular Weight |
395.886
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| Canonical SMILES |
CN(CCOc1ccc(cc1-c1cccc(Cl)c1)-c1ccccc1)CC(O)=O
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| InChI |
InChI=1S/C23H22ClNO3/c1-25(16-23(26)27)12-13-28-22-11-10-18(17-6-3-2-4-7-17)15-21(22)19-8-5-9-20(24)14-19/h2-11,14-15H,12-13,16H2,1H3,(H,26,27)
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| InChIKey |
AAEYFXNGALFNCS-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