General Information of the Compound
| Compound ID |
CP0385475
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| Compound Name |
1-[6-(trifluoromethyl)quinolin-4-yl]sulfanylcyclobutane-1-carboxylic acid
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| Structure |
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| Formula |
C15H12F3NO2S
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| Molecular Weight |
327.327
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| Canonical SMILES |
OC(=O)C1(CCC1)Sc1ccnc2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C15H12F3NO2S/c16-15(17,18)9-2-3-11-10(8-9)12(4-7-19-11)22-14(13(20)21)5-1-6-14/h2-4,7-8H,1,5-6H2,(H,20,21)
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| InChIKey |
FOVSIEUPNDQKOC-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