General Information of the Compound
| Compound ID |
CP0168575
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| Compound Name |
2-[3-[2-[[ethyl(methoxycarbonyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]acetic acid
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| Structure |
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| Formula |
C21H22F3NO5
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| Molecular Weight |
425.403
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| Canonical SMILES |
CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F)C(=O)OC
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| InChI |
InChI=1S/C21H22F3NO5/c1-4-25(20(28)30-3)12-14-11-15(21(22,23)24)6-7-16(14)17-9-13(10-19(26)27)5-8-18(17)29-2/h5-9,11H,4,10,12H2,1-3H3,(H,26,27)
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| InChIKey |
OZCSUWJJBCTGGK-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