General Information of the Compound
| Compound ID |
CP0439573
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| Compound Name |
2-ethoxy-5-(m-tolylethynyl)pyrimidine
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| Synonyms |
2-ethoxy-5-(m-tolylethynyl)pyrimidine
BDBM50278923
CHEMBL496874
Pyrimidine,2-ethoxy-5-[2-(3-methylphenyl)ethynyl]-
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| Structure |
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| Formula |
C15H14N2O
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| Molecular Weight |
238.29
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| Canonical SMILES |
CCOc1ncc(cn1)C#Cc1cccc(C)c1
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| InChI |
InChI=1S/C15H14N2O/c1-3-18-15-16-10-14(11-17-15)8-7-13-6-4-5-12(2)9-13/h4-6,9-11H,3H2,1-2H3
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| InChIKey |
LZJPKUYOMGXTBK-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