General Information of the Compound
| Compound ID |
CP0543976
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| Compound Name |
3-(4-Methanesulfonyl-phenyl)-2-(4-methyl-pyridin-3-yl)-cyclopent-2-enone
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| Structure |
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| Formula |
C18H17NO3S
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| Molecular Weight |
327.405
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| Canonical SMILES |
Cc1ccncc1C1=C(CCC1=O)c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C18H17NO3S/c1-12-9-10-19-11-16(12)18-15(7-8-17(18)20)13-3-5-14(6-4-13)23(2,21)22/h3-6,9-11H,7-8H2,1-2H3
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| InChIKey |
KAMSHHHKVKJGLB-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