General Information of the Compound
| Compound ID |
CP0149815
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| Compound Name |
8-fluoro-1-methyl-7-pyridin-3-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
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| Structure |
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| Formula |
C16H13FN4
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| Molecular Weight |
280.306
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| Canonical SMILES |
Cc1nnc2CCc3cc(c(F)cc3-n12)-c1cccnc1
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| InChI |
InChI=1S/C16H13FN4/c1-10-19-20-16-5-4-11-7-13(12-3-2-6-18-9-12)14(17)8-15(11)21(10)16/h2-3,6-9H,4-5H2,1H3
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| InChIKey |
IBUSVQUTXJGYEA-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