General Information of the Compound
| Compound ID |
CP0399152
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| Compound Name |
3-chloro-4-(o-tolylsulfinyl)benzonitrile
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| Structure |
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| Formula |
C14H10ClNOS
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| Molecular Weight |
275.76
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| Canonical SMILES |
Cc1ccccc1S(=O)c1ccc(cc1Cl)C#N
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| InChI |
InChI=1S/C14H10ClNOS/c1-10-4-2-3-5-13(10)18(17)14-7-6-11(9-16)8-12(14)15/h2-8H,1H3
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| InChIKey |
JGPMXWJFSYEMSX-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