General Information of the Compound
| Compound ID |
CP0075039
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| Compound Name |
2-[4-methoxy-3-[2-[[methyl(phenylmethoxycarbonyl)amino]methyl]-4-(trifluoromethyl)phenyl]phenyl]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 |
COc1ccc(CC(O)=O)cc1-c1ccc(cc1CN(C)C(=O)OCc1ccccc1)C(F)(F)F
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| InChI |
InChI=1S/C26H24F3NO5/c1-30(25(33)35-16-17-6-4-3-5-7-17)15-19-14-20(26(27,28)29)9-10-21(19)22-12-18(13-24(31)32)8-11-23(22)34-2/h3-12,14H,13,15-16H2,1-2H3,(H,31,32)
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| InChIKey |
AQKVICADZXSAOO-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