General Information of the Compound
| Compound ID |
CP0289292
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| Compound Name |
3-chloro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylbenzonitrile
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| Structure |
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| Formula |
C16H11ClF3NO3S
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| Molecular Weight |
389.782
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| Canonical SMILES |
CC(O)(c1ccc(cc1)S(=O)(=O)c1ccc(cc1Cl)C#N)C(F)(F)F
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| InChI |
InChI=1S/C16H11ClF3NO3S/c1-15(22,16(18,19)20)11-3-5-12(6-4-11)25(23,24)14-7-2-10(9-21)8-13(14)17/h2-8,22H,1H3
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| InChIKey |
UMQOWWADXICFNS-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