General Information of the Compound
| Compound ID |
CP0442097
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| Compound Name |
3-(4-Methanesulfonyl-phenyl)-2-(3,4,5-trichloro-phenyl)-cyclopent-2-enone
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| Structure |
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| Formula |
C18H13Cl3O3S
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| Molecular Weight |
415.725
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)CC1)c1cc(Cl)c(Cl)c(Cl)c1
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| InChI |
InChI=1S/C18H13Cl3O3S/c1-25(23,24)12-4-2-10(3-5-12)13-6-7-16(22)17(13)11-8-14(19)18(21)15(20)9-11/h2-5,8-9H,6-7H2,1H3
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| InChIKey |
ASRZEXHEXSQIBP-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