General Information of the Compound
| Compound ID |
CP0499183
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| Compound Name |
9-fluoro-1-propan-2-yl-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 |
C18H17FN4
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| Molecular Weight |
308.36
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| Canonical SMILES |
CC(C)c1nnc2CCc3cc(cc(F)c3-n12)-c1cccnc1
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| InChI |
InChI=1S/C18H17FN4/c1-11(2)18-22-21-16-6-5-12-8-14(13-4-3-7-20-10-13)9-15(19)17(12)23(16)18/h3-4,7-11H,5-6H2,1-2H3
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| InChIKey |
BDLQQCOEUSDGSO-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