General Information of the Compound
| Compound ID |
CP0506395
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| Compound Name |
2-(m-tolylethynyl)pyrimidine
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| Synonyms |
2-(m-tolylethynyl)pyrimidine
CHEMBL496882
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| Structure |
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| Formula |
C13H10N2
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| Molecular Weight |
194.237
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| Canonical SMILES |
Cc1cccc(c1)C#Cc1ncccn1
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| InChI |
InChI=1S/C13H10N2/c1-11-4-2-5-12(10-11)6-7-13-14-8-3-9-15-13/h2-5,8-10H,1H3
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| InChIKey |
GHGMWMJKRGZKMW-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