General Information of the Compound
| Compound ID |
CP0398470
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| Compound Name |
5-(2-(2,5-dimethylphenyl)ethynyl)pyrimidine
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| Synonyms |
5-(2-(2,5-dimethylphenyl)ethynyl)pyrimidine
CHEMBL453979
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| Structure |
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| Formula |
C14H12N2
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| Molecular Weight |
208.264
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| Canonical SMILES |
Cc1ccc(C)c(c1)C#Cc1cncnc1
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| InChI |
InChI=1S/C14H12N2/c1-11-3-4-12(2)14(7-11)6-5-13-8-15-10-16-9-13/h3-4,7-10H,1-2H3
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| InChIKey |
XOIZHMAWDAZINA-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