General Information of the Compound
| Compound ID |
CP0066939
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| Compound Name |
2-[[4-[[4-fluoro-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoic acid
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| Structure |
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| Formula |
C20H19F4NO3
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| Molecular Weight |
397.368
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| Canonical SMILES |
CCC(Cc1ccc(cc1)C(=O)NCc1ccc(F)cc1C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C20H19F4NO3/c1-2-13(19(27)28)9-12-3-5-14(6-4-12)18(26)25-11-15-7-8-16(21)10-17(15)20(22,23)24/h3-8,10,13H,2,9,11H2,1H3,(H,25,26)(H,27,28)
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| InChIKey |
YXMOEHIXSLPFBY-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