General Information of the Compound
| Compound ID |
CP0155789
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| Compound Name |
2-[3-[2-[[benzyl(methoxycarbonyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]acetic acid
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| Structure |
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| Formula |
C26H24F3NO5
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| Molecular Weight |
487.474
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| Canonical SMILES |
COC(=O)N(Cc1ccccc1)Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F
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| InChI |
InChI=1S/C26H24F3NO5/c1-34-23-11-8-18(13-24(31)32)12-22(23)21-10-9-20(26(27,28)29)14-19(21)16-30(25(33)35-2)15-17-6-4-3-5-7-17/h3-12,14H,13,15-16H2,1-2H3,(H,31,32)
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| InChIKey |
WGXIPXHUOIQNGL-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