General Information of the Compound
| Compound ID |
CP0134182
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| Compound Name |
9-fluoro-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 |
C15H11FN4
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| Molecular Weight |
266.279
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| Canonical SMILES |
Fc1cc(cc2CCc3nncn3-c12)-c1cccnc1
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| InChI |
InChI=1S/C15H11FN4/c16-13-7-12(11-2-1-5-17-8-11)6-10-3-4-14-19-18-9-20(14)15(10)13/h1-2,5-9H,3-4H2
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| InChIKey |
ADUZVRQZQAEEME-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