General Information of the Compound
| Compound ID |
CP0468353
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| Compound Name |
2-(phenylethynyl)pyrimidine
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| Synonyms |
2-(phenylethynyl)pyrimidine
BDBM50278929
CHEMBL450465
SCHEMBL13841597
ZINC39236614
phenylethynylpyrimidine
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| Structure |
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| Formula |
C12H8N2
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| Molecular Weight |
180.21
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| Canonical SMILES |
c1ccc(cc1)C#Cc1ncccn1
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| InChI |
InChI=1S/C12H8N2/c1-2-5-11(6-3-1)7-8-12-13-9-4-10-14-12/h1-6,9-10H
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| InChIKey |
JGGFEZRQOSIEGG-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