General Information of the Compound
| Compound ID |
CP0500388
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| Compound Name |
8-fluoro-7-(4-methoxy-5-methylpyridin-3-yl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
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| Structure |
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| Formula |
C18H17FN4O
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| Molecular Weight |
324.359
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| Canonical SMILES |
COc1c(C)cncc1-c1cc2CCc3nnc(C)n3-c2cc1F
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| InChI |
InChI=1S/C18H17FN4O/c1-10-8-20-9-14(18(10)24-3)13-6-12-4-5-17-22-21-11(2)23(17)16(12)7-15(13)19/h6-9H,4-5H2,1-3H3
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| InChIKey |
WCHMUBHFHAPDQQ-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