General Information of the Compound
| Compound ID |
CP0302977
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| Compound Name |
phenyl (E)-2-phenylethenesulfonate
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| Structure |
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| Formula |
C14H12O3S
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| Molecular Weight |
260.314
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| Canonical SMILES |
O=S(=O)(Oc1ccccc1)\C=C\c1ccccc1
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| InChI |
InChI=1S/C14H12O3S/c15-18(16,17-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+
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| InChIKey |
MIQFBVNMSNEFFS-VAWYXSNFSA-N
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| CAS |
5305-91-9
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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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT04367, Nuclear factor erythroid 2-related factor 2