General Information of the Compound
| Compound ID |
CP0511498
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| Compound Name |
3-(2-(pyridin-2-yl)ethynyl)-5-fluorobenzonitrile
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| Structure |
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| Formula |
C14H7FN2
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| Molecular Weight |
222.222
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| Canonical SMILES |
Fc1cc(cc(c1)C#Cc1ccccn1)C#N
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| InChI |
InChI=1S/C14H7FN2/c15-13-8-11(7-12(9-13)10-16)4-5-14-3-1-2-6-17-14/h1-3,6-9H
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| InChIKey |
MEZOEZSKPXUIJA-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