General Information of the Compound
| Compound ID |
CP0318808
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| Compound Name |
2-(4-chlorophenyl)sulfonyl-5-(3,4-dichlorophenyl)-3-methyl-3,4-dihydropyrazole
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| Structure |
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| Formula |
C16H13Cl3N2O2S
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| Molecular Weight |
403.718
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| Canonical SMILES |
CC1CC(=NN1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C16H13Cl3N2O2S/c1-10-8-16(11-2-7-14(18)15(19)9-11)20-21(10)24(22,23)13-5-3-12(17)4-6-13/h2-7,9-10H,8H2,1H3
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| InChIKey |
OVNWHRHFWJKTER-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