General Information of the Compound
| Compound ID |
CP0514843
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| Compound Name |
6-fluoro-4-[4-(2-fluorophenyl)piperazin-1-yl]-8-methoxyquinoline-3-carbonitrile
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| Formula |
C21H18F2N4O
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| Molecular Weight |
380.398
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| Canonical SMILES |
COc1cc(F)cc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N
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| InChI |
InChI=1S/C21H18F2N4O/c1-28-19-11-15(22)10-16-20(19)25-13-14(12-24)21(16)27-8-6-26(7-9-27)18-5-3-2-4-17(18)23/h2-5,10-11,13H,6-9H2,1H3
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| InChIKey |
ILGOICKJVGZODR-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