General Information of the Compound
| Compound ID |
CP0400945
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| Compound Name |
5-Biphenyl-4-ylethynyl-pyrimidine
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| Synonyms |
5-Biphenyl-4-ylethynyl-pyrimidine
CHEMBL447469
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| Structure |
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| Formula |
C18H12N2
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| Molecular Weight |
256.308
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| Canonical SMILES |
c1ccc(cc1)-c1ccc(cc1)C#Cc1cncnc1
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| InChI |
InChI=1S/C18H12N2/c1-2-4-17(5-3-1)18-10-8-15(9-11-18)6-7-16-12-19-14-20-13-16/h1-5,8-14H
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| InChIKey |
WSPLFBLWQURLSJ-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