General Information of the Compound
| Compound ID |
CP0109418
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| Compound Name |
2-methyl-3-[4-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]propanoic acid
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| Structure |
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| Formula |
C19H18F3NO3
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| Molecular Weight |
365.351
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| Canonical SMILES |
CC(Cc1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C19H18F3NO3/c1-12(18(25)26)10-13-6-8-14(9-7-13)17(24)23-11-15-4-2-3-5-16(15)19(20,21)22/h2-9,12H,10-11H2,1H3,(H,23,24)(H,25,26)
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| InChIKey |
DCCNWCBAKAPIQY-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