General Information of the Compound
| Compound ID |
CP0469408
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| Compound Name |
7-(4-ethyl-5-fluoropyridin-3-yl)-8,9-difluoro-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
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| Structure |
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| Formula |
C18H15F3N4
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| Molecular Weight |
344.34
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| Canonical SMILES |
CCc1c(F)cncc1-c1cc2CCc3nnc(C)n3-c2c(F)c1F
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| InChI |
InChI=1S/C18H15F3N4/c1-3-11-13(7-22-8-14(11)19)12-6-10-4-5-15-24-23-9(2)25(15)18(10)17(21)16(12)20/h6-8H,3-5H2,1-2H3
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| InChIKey |
VTMXNTJMZMQGOG-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