General Information of the Compound
| Compound ID |
CP0388133
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| Compound Name |
7-pyridin-3-yl-1-(trifluoromethyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
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| Structure |
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| Formula |
C16H11F3N4
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| Molecular Weight |
316.286
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| Canonical SMILES |
FC(F)(F)c1nnc2CCc3cc(ccc3-n12)-c1cccnc1
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| InChI |
InChI=1S/C16H11F3N4/c17-16(18,19)15-22-21-14-6-4-11-8-10(3-5-13(11)23(14)15)12-2-1-7-20-9-12/h1-3,5,7-9H,4,6H2
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| InChIKey |
IJXJGCXGENZIFO-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