General Information of the Compound
| Compound ID |
CP0076398
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| Compound Name |
2-[4-(2-chloro-4-nitrophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol
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| Structure |
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| Formula |
C15H11ClF3NO5S
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| Molecular Weight |
409.769
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| Canonical SMILES |
CC(O)(c1ccc(cc1)S(=O)(=O)c1ccc(cc1Cl)[N+]([O-])=O)C(F)(F)F
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| InChI |
InChI=1S/C15H11ClF3NO5S/c1-14(21,15(17,18)19)9-2-5-11(6-3-9)26(24,25)13-7-4-10(20(22)23)8-12(13)16/h2-8,21H,1H3
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| InChIKey |
OYMRQWMCPFIIRM-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