General Information of the Compound
| Compound ID |
CP0522857
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| Compound Name |
3-fluoro-4-(4-(4-(methylsulfonyl)biphenylcarbonyl)piperazin-1-yl)benzonitrile
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| Structure |
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| Formula |
C25H22FN3O3S
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| Molecular Weight |
463.534
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| Canonical SMILES |
CS(=O)(=O)c1ccc(-c2ccccc2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
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| InChI |
InChI=1S/C25H22FN3O3S/c1-33(31,32)20-8-9-21(19-5-3-2-4-6-19)22(16-20)25(30)29-13-11-28(12-14-29)24-10-7-18(17-27)15-23(24)26/h2-10,15-16H,11-14H2,1H3
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| InChIKey |
DROQOZZKFMYZSC-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