General Information of the Compound
| Compound ID |
CP0547418
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| Compound Name |
(9-fluoro-7-pyridin-3-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-1-yl)-phenylmethanone
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| Structure |
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| Formula |
C22H15FN4O
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| Molecular Weight |
370.387
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| Canonical SMILES |
Fc1cc(cc2CCc3nnc(C(=O)c4ccccc4)n3-c12)-c1cccnc1
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| InChI |
InChI=1S/C22H15FN4O/c23-18-12-17(16-7-4-10-24-13-16)11-15-8-9-19-25-26-22(27(19)20(15)18)21(28)14-5-2-1-3-6-14/h1-7,10-13H,8-9H2
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| InChIKey |
WJSHAQYNCUAKKV-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