General Information of the Compound
| Compound ID |
CP0466895
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| Compound Name |
2-(4-Chloro-phenyl)-5-methyl-2H,5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
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| Structure |
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| Formula |
C16H11ClN4O2
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| Molecular Weight |
326.743
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| Canonical SMILES |
Cn1c2ccccc2n2c(nn(-c3ccc(Cl)cc3)c2=O)c1=O
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| InChI |
InChI=1S/C16H11ClN4O2/c1-19-12-4-2-3-5-13(12)20-14(15(19)22)18-21(16(20)23)11-8-6-10(17)7-9-11/h2-9H,1H3
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| InChIKey |
CLKHKOVNJLVWFV-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