General Information of the Compound
| Compound ID |
CP0563109
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| Compound Name |
[4-(1-benzofuran-5-yl)phenyl] ethanesulfonate
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| Structure |
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| Formula |
C16H14O4S
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| Molecular Weight |
302.351
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| Canonical SMILES |
CCS(=O)(=O)Oc1ccc(cc1)-c1ccc2occc2c1
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| InChI |
InChI=1S/C16H14O4S/c1-2-21(17,18)20-15-6-3-12(4-7-15)13-5-8-16-14(11-13)9-10-19-16/h3-11H,2H2,1H3
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| InChIKey |
JNPLQPJEILVOFS-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