General Information of the Compound
| Compound ID |
CP0498051
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| Compound Name |
(2-(cyclopropylmethoxy)-5-(methylsulfonyl)phenyl)(4-(2-fluoro-4-(methylsulfonyl)phenyl)piperazin-1-yl)methanone
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| Structure |
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| Formula |
C23H27FN2O6S2
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| Molecular Weight |
510.609
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| Canonical SMILES |
CS(=O)(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2OCC2CC2)S(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C23H27FN2O6S2/c1-33(28,29)17-6-8-22(32-15-16-3-4-16)19(13-17)23(27)26-11-9-25(10-12-26)21-7-5-18(14-20(21)24)34(2,30)31/h5-8,13-14,16H,3-4,9-12,15H2,1-2H3
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| InChIKey |
DXQWUWTWIWAQPL-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