General Information of the Compound
| Compound ID |
CP0462068
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| Compound Name |
4-(4-fluorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-amine
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| Structure |
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| Formula |
C21H19F5N4O2S
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| Molecular Weight |
486.466
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| Canonical SMILES |
Cn1cnc(c1)S(=O)(=O)N1CC(Nc2ccc(F)c(c2)C(F)(F)F)C(C1)c1ccc(F)cc1
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| InChI |
InChI=1S/C21H19F5N4O2S/c1-29-11-20(27-12-29)33(31,32)30-9-16(13-2-4-14(22)5-3-13)19(10-30)28-15-6-7-18(23)17(8-15)21(24,25)26/h2-8,11-12,16,19,28H,9-10H2,1H3
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| InChIKey |
QHYIYIVWHBQJLT-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