General Information of the Compound
| Compound ID |
CP0330754
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| Compound Name |
1-[[3-chloro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]methyl]cyclopropane-1-carbonitrile
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| Structure |
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| Formula |
C20H17ClF3NO3S
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| Molecular Weight |
443.874
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| Canonical SMILES |
CC(O)(c1ccc(cc1)S(=O)(=O)c1ccc(CC2(CC2)C#N)cc1Cl)C(F)(F)F
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| InChI |
InChI=1S/C20H17ClF3NO3S/c1-18(26,20(22,23)24)14-3-5-15(6-4-14)29(27,28)17-7-2-13(10-16(17)21)11-19(12-25)8-9-19/h2-7,10,26H,8-9,11H2,1H3
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| InChIKey |
GXMKJDRDNOREPB-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