General Information of the Compound
| Compound ID |
CP0868022
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| Compound Name |
N-(4-chloro-2-isonicotinoylphenyl)-4-((2,4-dimethyl-1,3-dioxolan-2-yl)methyl)benzenesulfonamide
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| Structure |
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| Formula |
C24H23ClN2O5S
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| Molecular Weight |
486.977
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| Canonical SMILES |
CC1COC(C)(Cc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)c3ccncc3)cc2)O1
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| InChI |
InChI=1S/C24H23ClN2O5S/c1-16-15-31-24(2,32-16)14-17-3-6-20(7-4-17)33(29,30)27-22-8-5-19(25)13-21(22)23(28)18-9-11-26-12-10-18/h3-13,16,27H,14-15H2,1-2H3
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| InChIKey |
VPEUFXPHHKLCRR-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