General Information of the Compound
| Compound ID |
CP0504493
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| Compound Name |
2-(3-Fluorophenyl)-5-(6-methylpyridin-2-ylethynyl)benzonitrile
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| Structure |
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| Formula |
C20H11FN2
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| Molecular Weight |
298.32
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| Canonical SMILES |
Fc1cccc(c1)-c1ccc(cc1C#N)C#Cc1ccccn1
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| InChI |
InChI=1S/C20H11FN2/c21-18-5-3-4-16(13-18)20-10-8-15(12-17(20)14-22)7-9-19-6-1-2-11-23-19/h1-6,8,10-13H
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| InChIKey |
HWFBQZCRRDGGMH-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