General Information of the Compound
| Compound ID |
CP0391801
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| Compound Name |
2-[2-[4-(2-pyridin-2-ylethynyl)phenyl]ethynyl]pyridine
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| Structure |
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| Formula |
C20H12N2
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| Molecular Weight |
280.33
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| Canonical SMILES |
c1ccc(nc1)C#Cc1ccc(cc1)C#Cc1ccccn1
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| InChI |
InChI=1S/C20H12N2/c1-3-15-21-19(5-1)13-11-17-7-9-18(10-8-17)12-14-20-6-2-4-16-22-20/h1-10,15-16H
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| InChIKey |
LRUNHYLVQLYHCI-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