General Information of the Compound
| Compound ID |
CP0483087
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| Compound Name |
7-chloro-5-cyclopentylsulfonylquinolin-8-ol
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| Structure |
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| Formula |
C14H14ClNO3S
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| Molecular Weight |
311.79
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| Canonical SMILES |
Oc1c(Cl)cc(c2cccnc12)S(=O)(=O)C1CCCC1
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| InChI |
InChI=1S/C14H14ClNO3S/c15-11-8-12(20(18,19)9-4-1-2-5-9)10-6-3-7-16-13(10)14(11)17/h3,6-9,17H,1-2,4-5H2
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| InChIKey |
KUYRRWBHFLIXHG-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