General Information of the Compound
| Compound ID |
CP0017226
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| Compound Name |
BAY-11-7082
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| Synonyms |
(2E)-3-[(4-methylphenyl)sulfonyl]prop-2-enenitrile
(E)-3-(4-Methylphenyl)sulfonylprop-2-enenitrile
(E)-3-(4-Methylphenylsulfonyl)-2-propenenitrile
(E)-3-(p-Toluenesulfonyl)acrylonitrile
(E)-3-Tosylacrylonitrile
(E)3-[(4-Methylphenyl)sulfonyl]-2-propenenitrile
19542-67-7
3-(4-methylphenylsulfonyl)-2-propenenitrile
3-[(4-methylphenyl)sulfonyl]prop-2-enenitrile
4Y5G2A4F6O
AK129348
BAY-11-7082
BAY-11-7821
BAY-117082
BAY-117821
BAY11-7082
Bay 11-7821
CHEBI:85928
CHEMBL403183
J-501956
UNII-4Y5G2A4F6O
bay 11-7082
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| Structure |
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| Formula |
C10H9NO2S
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| Molecular Weight |
207.254
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)\C=C\C#N
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| InChI |
InChI=1S/C10H9NO2S/c1-9-3-5-10(6-4-9)14(12,13)8-2-7-11/h2-6,8H,1H3/b8-2+
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| InChIKey |
DOEWDSDBFRHVAP-KRXBUXKQSA-N
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| CAS |
19542-67-7
1424-48-2
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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
Clinical Information about the Compound