General Information of the Compound
| Compound ID |
CP0559825
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| Compound Name |
1-[6-(3-fluorophenyl)quinolin-4-yl]sulfanylcyclobutane-1-carboxylic acid
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| Structure |
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| Formula |
C20H16FNO2S
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| Molecular Weight |
353.418
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| Canonical SMILES |
OC(=O)C1(CCC1)Sc1ccnc2ccc(cc12)-c1cccc(F)c1
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| InChI |
InChI=1S/C20H16FNO2S/c21-15-4-1-3-13(11-15)14-5-6-17-16(12-14)18(7-10-22-17)25-20(19(23)24)8-2-9-20/h1,3-7,10-12H,2,8-9H2,(H,23,24)
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| InChIKey |
LSISNHXJJMUKSJ-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