General Information of the Compound
| Compound ID |
CP0560442
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| Compound Name |
9-fluoro-1-methylsulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
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| Formula |
C13H13FN4OS
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| Molecular Weight |
292.339
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| Canonical SMILES |
CCCn1c2nnc(SC)n2c2c(F)cccc2c1=O
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| InChI |
InChI=1S/C13H13FN4OS/c1-3-7-17-11(19)8-5-4-6-9(14)10(8)18-12(17)15-16-13(18)20-2/h4-6H,3,7H2,1-2H3
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| InChIKey |
NYTBRBJXPKJNBN-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