General Information of the Compound
| Compound ID |
CP0068943
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| Compound Name |
4-(2-pyridinylsulfanyl)-1-(trifluoromethyl)[1,2,4]triazolo[4,3-a]quinoxaline
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| Structure |
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| Formula |
C15H8F3N5S
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| Molecular Weight |
347.325
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| Canonical SMILES |
FC(F)(F)c1nnc2c(Sc3ccccn3)nc3ccccc3n12
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| InChI |
InChI=1S/C15H8F3N5S/c16-15(17,18)14-22-21-12-13(24-11-7-3-4-8-19-11)20-9-5-1-2-6-10(9)23(12)14/h1-8H
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| InChIKey |
VMJPEAFWENMSRW-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8