General Information of the Compound
| Compound ID |
CP0074661
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| Compound Name |
2-[4-methoxy-3-[2-(phenylmethoxycarbonylaminomethyl)-4-(trifluoromethyl)phenyl]phenyl]acetic acid
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| Structure |
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| Formula |
C25H22F3NO5
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| Molecular Weight |
473.447
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| Canonical SMILES |
COc1ccc(CC(O)=O)cc1-c1ccc(cc1CNC(=O)OCc1ccccc1)C(F)(F)F
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| InChI |
InChI=1S/C25H22F3NO5/c1-33-22-10-7-17(12-23(30)31)11-21(22)20-9-8-19(25(26,27)28)13-18(20)14-29-24(32)34-15-16-5-3-2-4-6-16/h2-11,13H,12,14-15H2,1H3,(H,29,32)(H,30,31)
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| InChIKey |
FFUHUSUCAHPSSH-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