General Information of the Compound
| Compound ID |
CP0510663
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| Compound Name |
2-(5-Bromo-pyridin-3-yl)-3-(4-methanesulfonyl-phenyl)-cyclopent-2-enone
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| Structure |
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| Formula |
C17H14BrNO3S
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| Molecular Weight |
392.274
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)CC1)c1cncc(Br)c1
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| InChI |
InChI=1S/C17H14BrNO3S/c1-23(21,22)14-4-2-11(3-5-14)15-6-7-16(20)17(15)12-8-13(18)10-19-9-12/h2-5,8-10H,6-7H2,1H3
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| InChIKey |
IRRBAZAKONNPAG-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