General Information of the Compound
| Compound ID |
CP0374184
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| Compound Name |
3-[4-Methoxy-3-(4-trifluoromethyl-benzylcarbamoyl)-phenyl]-2,2-dimethyl-propionic acid
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| Structure |
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| Formula |
C21H22F3NO4
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| Molecular Weight |
409.404
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| Canonical SMILES |
COc1ccc(CC(C)(C)C(O)=O)cc1C(=O)NCc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C21H22F3NO4/c1-20(2,19(27)28)11-14-6-9-17(29-3)16(10-14)18(26)25-12-13-4-7-15(8-5-13)21(22,23)24/h4-10H,11-12H2,1-3H3,(H,25,26)(H,27,28)
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| InChIKey |
JHWLJQGKPKFKOZ-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