General Information of the Compound
| Compound ID |
CP0478591
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| Compound Name |
5-(9-fluoro-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)pyridine-3-carbonitrile
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| Structure |
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| Formula |
C17H12FN5
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| Molecular Weight |
305.316
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| Canonical SMILES |
Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(c1)C#N
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| InChI |
InChI=1S/C17H12FN5/c1-10-21-22-16-3-2-12-5-13(6-15(18)17(12)23(10)16)14-4-11(7-19)8-20-9-14/h4-6,8-9H,2-3H2,1H3
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| InChIKey |
IXVQEKTZKPAJEK-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