General Information of the Compound
| Compound ID |
CP0478115
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| Compound Name |
(methyl-{2-[2-(thiophene-2-carbonyl)-4-trifluoromethyl-phenoxy]-ethyl}-amino)-acetic acid
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| Structure |
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| Formula |
C17H16F3NO4S
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| Molecular Weight |
387.379
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| Canonical SMILES |
CN(CCOc1ccc(cc1C(=O)c1cccs1)C(F)(F)F)CC(O)=O
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| InChI |
InChI=1S/C17H16F3NO4S/c1-21(10-15(22)23)6-7-25-13-5-4-11(17(18,19)20)9-12(13)16(24)14-3-2-8-26-14/h2-5,8-9H,6-7,10H2,1H3,(H,22,23)
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| InChIKey |
JMKZOPKBVHSQGJ-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