General Information of the Compound
| Compound ID |
CP0014319
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| Compound Name |
8-(3-methylsulfonylphenyl)-1-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
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| Formula |
C21H20N4O3S
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| Molecular Weight |
408.483
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| Canonical SMILES |
CS(=O)(=O)c1cccc(c1)-c1ccc2ncc3nnc(C4CCOCC4)n3c2c1
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| InChI |
InChI=1S/C21H20N4O3S/c1-29(26,27)17-4-2-3-15(11-17)16-5-6-18-19(12-16)25-20(13-22-18)23-24-21(25)14-7-9-28-10-8-14/h2-6,11-14H,7-10H2,1H3
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| InChIKey |
SISUIFVVYIBVIA-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