General Information of the Compound
| Compound ID |
CP0322430
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| Compound Name |
9-fluoro-1-methyl-7-(4-methylpyridin-3-yl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
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| Structure |
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| Formula |
C17H15FN4
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| Molecular Weight |
294.333
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| Canonical SMILES |
Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cnccc1C
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| InChI |
InChI=1S/C17H15FN4/c1-10-5-6-19-9-14(10)13-7-12-3-4-16-21-20-11(2)22(16)17(12)15(18)8-13/h5-9H,3-4H2,1-2H3
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| InChIKey |
SJOFEHGUJFUHSO-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