General Information of the Compound
| Compound ID |
CP0907260
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| Compound Name |
1-(4-fluoro-5-(4-methylpiperidin-1-yl)-2-nitrophenyl)-4-(phenylsulfonyl)piperazine
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| Structure |
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| Formula |
C22H27FN4O4S
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| Molecular Weight |
462.547
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| Canonical SMILES |
CC1CCN(c2cc(N3CCN(S(=O)(=O)c4ccccc4)CC3)c([N+](=O)[O-])cc2F)CC1
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| InChI |
InChI=1S/C22H27FN4O4S/c1-17-7-9-24(10-8-17)20-16-21(22(27(28)29)15-19(20)23)25-11-13-26(14-12-25)32(30,31)18-5-3-2-4-6-18/h2-6,15-17H,7-14H2,1H3
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| InChIKey |
FCGVKUNPJHYYTC-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