General Information of the Compound
| Compound ID |
CP0409643
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| Compound Name |
2-Ethyl-2-[4-methoxy-3-(4-trifluoromethyl-benzylcarbamoyl)-benzyl]-butyric acid
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| Structure |
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| Formula |
C23H26F3NO4
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| Molecular Weight |
437.458
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| Canonical SMILES |
CCC(CC)(Cc1ccc(OC)c(c1)C(=O)NCc1ccc(cc1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C23H26F3NO4/c1-4-22(5-2,21(29)30)13-16-8-11-19(31-3)18(12-16)20(28)27-14-15-6-9-17(10-7-15)23(24,25)26/h6-12H,4-5,13-14H2,1-3H3,(H,27,28)(H,29,30)
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| InChIKey |
LXXITATZEVSASZ-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