General Information of the Compound
| Compound ID |
CP0399140
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| Compound Name |
4-(isopropylthio)-2-methoxybenzonitrile
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| Synonyms |
4-(isopropylthio)-2-methoxybenzonitrile
CHEMBL445429
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| Structure |
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| Formula |
C11H13NOS
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| Molecular Weight |
207.298
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| Canonical SMILES |
COc1cc(SC(C)C)ccc1C#N
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| InChI |
InChI=1S/C11H13NOS/c1-8(2)14-10-5-4-9(7-12)11(6-10)13-3/h4-6,8H,1-3H3
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| InChIKey |
MIAOMCWVGGHYSA-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
Clinical Information about the Compound