General Information of the Compound
| Compound ID |
CP0459654
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| Compound Name |
(4-(2-fluoro-4-(methylsulfonyl)phenyl)piperazin-1-yl)(5-(methylsulfonyl)-2-(piperidin-1-yl)phenyl)methanone
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| Structure |
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| Formula |
C24H30FN3O5S2
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| Molecular Weight |
523.652
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| Canonical SMILES |
CS(=O)(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2N2CCCCC2)S(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C24H30FN3O5S2/c1-34(30,31)18-6-8-22(26-10-4-3-5-11-26)20(16-18)24(29)28-14-12-27(13-15-28)23-9-7-19(17-21(23)25)35(2,32)33/h6-9,16-17H,3-5,10-15H2,1-2H3
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| InChIKey |
JJSMOCAWYBZNSM-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