General Information of the Compound
| Compound ID |
CP0199186
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| Compound Name |
[4-(4-ethenylsulfonylpiperazin-1-yl)-6-fluoroquinolin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C21H26FN5O5S2
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| Molecular Weight |
511.601
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| Canonical SMILES |
CS(=O)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1N1CCN(CC1)S(=O)(=O)C=C
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| InChI |
InChI=1S/C21H26FN5O5S2/c1-3-34(31,32)27-12-6-24(7-13-27)20-17-14-16(22)4-5-19(17)23-15-18(20)21(28)25-8-10-26(11-9-25)33(2,29)30/h3-5,14-15H,1,6-13H2,2H3
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| InChIKey |
NBQFDYMBHFXBAY-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