General Information of the Compound
| Compound ID |
CP0907282
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| Compound Name |
1-(4-fluoro-2-nitro-5-(piperidin-1-yl)phenyl)-4-(phenylsulfonyl)piperazine
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| Structure |
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| Formula |
C21H25FN4O4S
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| Molecular Weight |
448.52
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| Canonical SMILES |
O=[N+]([O-])c1cc(F)c(N2CCCCC2)cc1N1CCN(S(=O)(=O)c2ccccc2)CC1
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| InChI |
InChI=1S/C21H25FN4O4S/c22-18-15-21(26(27)28)20(16-19(18)23-9-5-2-6-10-23)24-11-13-25(14-12-24)31(29,30)17-7-3-1-4-8-17/h1,3-4,7-8,15-16H,2,5-6,9-14H2
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| InChIKey |
GZUCTDNBHPANBH-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