General Information of the Compound
| Compound ID |
CP0414341
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| Compound Name |
1-benzyl-8-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 |
C22H17FN4
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| Molecular Weight |
356.404
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| Canonical SMILES |
Fc1cc-2c(CCc3nnc(Cc4ccccc4)n-23)cc1-c1cccnc1
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| InChI |
InChI=1S/C22H17FN4/c23-19-13-20-16(12-18(19)17-7-4-10-24-14-17)8-9-21-25-26-22(27(20)21)11-15-5-2-1-3-6-15/h1-7,10,12-14H,8-9,11H2
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| InChIKey |
XGKYYLVDPVAAFB-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