General Information of the Compound
| Compound ID |
CP0424841
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| Compound Name |
N-[4-[4-[3-(ethylsulfonylamino)phenyl]piperazin-1-yl]butyl]-4-methylbenzenesulfonamide
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| Structure |
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| Formula |
C23H34N4O4S2
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| Molecular Weight |
494.683
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| Canonical SMILES |
CCS(=O)(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1
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| InChI |
InChI=1S/C23H34N4O4S2/c1-3-32(28,29)25-21-7-6-8-22(19-21)27-17-15-26(16-18-27)14-5-4-13-24-33(30,31)23-11-9-20(2)10-12-23/h6-12,19,24-25H,3-5,13-18H2,1-2H3
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| InChIKey |
XDOVWNOHIYMNIA-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