General Information of the Compound
| Compound ID |
CP0078264
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| Compound Name |
2-[3-[2-[[ethyl-[(4-fluorophenyl)methoxycarbonyl]amino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]acetic acid
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| Structure |
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| Formula |
C27H25F4NO5
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| Molecular Weight |
519.491
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| Canonical SMILES |
CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F)C(=O)OCc1ccc(F)cc1
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| InChI |
InChI=1S/C27H25F4NO5/c1-3-32(26(35)37-16-17-4-8-21(28)9-5-17)15-19-14-20(27(29,30)31)7-10-22(19)23-12-18(13-25(33)34)6-11-24(23)36-2/h4-12,14H,3,13,15-16H2,1-2H3,(H,33,34)
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| InChIKey |
WEBVJLRYLNGCSN-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