General Information of the Compound
| Compound ID |
CP0440832
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| Compound Name |
4-(4-acetylpiperazin-1-yl)-N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(methylsulfonimidoyl)benzenesulfonamide
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| Structure |
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| Formula |
C25H36N4O4S2
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| Molecular Weight |
520.721
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| Canonical SMILES |
CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(N2CCN(CC2)C(C)=O)c(c1)S(C)(=N)=O
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| InChI |
InChI=1S/C25H36N4O4S2/c1-6-21-7-9-22(10-8-21)29(18-19(2)3)35(32,33)23-11-12-24(25(17-23)34(5,26)31)28-15-13-27(14-16-28)20(4)30/h7-12,17,19,26H,6,13-16,18H2,1-5H3
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| InChIKey |
VEBXJKRFJNECJQ-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