General Information of the Compound
| Compound ID |
CP0529605
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| Compound Name |
2-(3-Chloro-4-fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-cyclopent-2-enone
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| Structure |
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| Formula |
C18H14ClFO3S
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| Molecular Weight |
364.825
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)CC1)c1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C18H14ClFO3S/c1-24(22,23)13-5-2-11(3-6-13)14-7-9-17(21)18(14)12-4-8-16(20)15(19)10-12/h2-6,8,10H,7,9H2,1H3
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| InChIKey |
ZQNACYCKMYUNKS-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