General Information of the Compound
| Compound ID |
CP0418592
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| Compound Name |
6-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline
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| Structure |
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| Formula |
C21H17F3N2O2S
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| Molecular Weight |
418.44
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)S(=O)(=O)N1CCCc2cc(ccc12)-c1cccnc1
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| InChI |
InChI=1S/C21H17F3N2O2S/c22-21(23,24)18-6-8-19(9-7-18)29(27,28)26-12-2-4-16-13-15(5-10-20(16)26)17-3-1-11-25-14-17/h1,3,5-11,13-14H,2,4,12H2
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| InChIKey |
VUMBFGUTYUKFRK-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