General Information of the Compound
| Compound ID |
CP0404794
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| Compound Name |
7-fluoro-5-(4-fluorophenyl)sulfonylquinolin-8-ol
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| Structure |
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| Formula |
C15H9F2NO3S
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| Molecular Weight |
321.304
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| Canonical SMILES |
Oc1c(F)cc(c2cccnc12)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C15H9F2NO3S/c16-9-3-5-10(6-4-9)22(20,21)13-8-12(17)15(19)14-11(13)2-1-7-18-14/h1-8,19H
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| InChIKey |
QIABZCVRDQQJKB-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
Protein ID: PT02248, Catechol O-methyltransferase
Protein ID: PT03627, Catechol O-methyltransferase