General Information of the Compound
| Compound ID |
CP0353677
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| Compound Name |
1-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperidine-4-carbonitrile
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| Structure |
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| Formula |
C21H24FN5O3S
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| Molecular Weight |
445.52
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| Canonical SMILES |
CS(=O)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1N1CCC(CC1)C#N
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| InChI |
InChI=1S/C21H24FN5O3S/c1-31(29,30)27-10-8-26(9-11-27)21(28)18-14-24-19-3-2-16(22)12-17(19)20(18)25-6-4-15(13-23)5-7-25/h2-3,12,14-15H,4-11H2,1H3
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| InChIKey |
QYPYPGAQNSLSMG-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