General Information of the Compound
| Compound ID |
CP0383085
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| Compound Name |
3-[4-Methoxy-3-(4-trifluoromethyl-benzylcarbamoyl)-phenyl]-propionic acid
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| Structure |
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| Formula |
C19H18F3NO4
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| Molecular Weight |
381.35
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| Canonical SMILES |
COc1ccc(CCC(O)=O)cc1C(=O)NCc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C19H18F3NO4/c1-27-16-8-4-12(5-9-17(24)25)10-15(16)18(26)23-11-13-2-6-14(7-3-13)19(20,21)22/h2-4,6-8,10H,5,9,11H2,1H3,(H,23,26)(H,24,25)
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| InChIKey |
OPNLJSCRNOGSIM-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