General Information of the Compound
| Compound ID |
CP0454345
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| Compound Name |
2-[2-[2-(cyclohexanecarbonyl)-4-phenylphenoxy]ethyl-methylamino]acetic acid
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| Structure |
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| Formula |
C24H29NO4
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| Molecular Weight |
395.499
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| Canonical SMILES |
CN(CCOc1ccc(cc1C(=O)C1CCCCC1)-c1ccccc1)CC(O)=O
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| InChI |
InChI=1S/C24H29NO4/c1-25(17-23(26)27)14-15-29-22-13-12-20(18-8-4-2-5-9-18)16-21(22)24(28)19-10-6-3-7-11-19/h2,4-5,8-9,12-13,16,19H,3,6-7,10-11,14-15,17H2,1H3,(H,26,27)
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| InChIKey |
IMUMVNKMMHZVJG-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