General Information of the Compound
| Compound ID |
CP0203849
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| Compound Name |
2-[[4-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoic acid
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| Structure |
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| Formula |
C20H20F3NO3
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| Molecular Weight |
379.378
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| Canonical SMILES |
CCC(Cc1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C20H20F3NO3/c1-2-14(19(26)27)11-13-7-9-15(10-8-13)18(25)24-12-16-5-3-4-6-17(16)20(21,22)23/h3-10,14H,2,11-12H2,1H3,(H,24,25)(H,26,27)
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| InChIKey |
FQJBOLIIHNNOAV-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