General Information of the Compound
| Compound ID |
CP0480594
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| Compound Name |
9-fluoro-7-(5-fluoropyridin-3-yl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
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| Structure |
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| Formula |
C15H10F2N4
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| Molecular Weight |
284.269
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| Canonical SMILES |
Fc1cncc(c1)-c1cc(F)c-2c(CCc3nncn-23)c1
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| InChI |
InChI=1S/C15H10F2N4/c16-12-4-11(6-18-7-12)10-3-9-1-2-14-20-19-8-21(14)15(9)13(17)5-10/h3-8H,1-2H2
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| InChIKey |
LYMZNMZGYODBHC-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
Protein ID: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial