General Information of the Compound
| Compound ID |
CP0468022
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| Compound Name |
4-(cyclopropylmethylthio)-2-methoxybenzonitrile
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| Synonyms |
4-(cyclopropylmethylthio)-2-methoxybenzonitrile
CHEMBL504110
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| Structure |
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| Formula |
C12H13NOS
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| Molecular Weight |
219.309
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| Canonical SMILES |
COc1cc(SCC2CC2)ccc1C#N
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| InChI |
InChI=1S/C12H13NOS/c1-14-12-6-11(5-4-10(12)7-13)15-8-9-2-3-9/h4-6,9H,2-3,8H2,1H3
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| InChIKey |
KLTYCOFPIFASIE-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