General Information of the Compound
| Compound ID |
CP0940833
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| Compound Name |
4-(4-acetylpiperazin-1-yl)-N-(4-chloro-2-isonicotinoylphenyl)benzenesulfonamide
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| Structure |
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| Formula |
C24H23ClN4O4S
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| Molecular Weight |
498.992
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| Canonical SMILES |
CC(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)c3ccncc3)cc2)CC1
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| InChI |
InChI=1S/C24H23ClN4O4S/c1-17(30)28-12-14-29(15-13-28)20-3-5-21(6-4-20)34(32,33)27-23-7-2-19(25)16-22(23)24(31)18-8-10-26-11-9-18/h2-11,16,27H,12-15H2,1H3
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| InChIKey |
HTUHBIWBZUBZRB-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