General Information of the Compound
| Compound ID |
CP0476688
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| Compound Name |
5-(4-methylphenyl)sulfonyl-7-(trifluoromethyl)quinolin-8-ol
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| Structure |
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| Formula |
C17H12F3NO3S
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| Molecular Weight |
367.348
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)c1cc(c(O)c2ncccc12)C(F)(F)F
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| InChI |
InChI=1S/C17H12F3NO3S/c1-10-4-6-11(7-5-10)25(23,24)14-9-13(17(18,19)20)16(22)15-12(14)3-2-8-21-15/h2-9,22H,1H3
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| InChIKey |
LYYJBDBNQIZSSM-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