General Information of the Compound
| Compound ID |
CP0538448
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| Compound Name |
1-(6-methylquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid
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| Structure |
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| Formula |
C15H15NO2S
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| Molecular Weight |
273.357
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| Canonical SMILES |
Cc1ccc2nccc(SC3(CCC3)C(O)=O)c2c1
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| InChI |
InChI=1S/C15H15NO2S/c1-10-3-4-12-11(9-10)13(5-8-16-12)19-15(14(17)18)6-2-7-15/h3-5,8-9H,2,6-7H2,1H3,(H,17,18)
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| InChIKey |
NKWAZUCNSBQFEX-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