General Information of the Compound
| Compound ID |
CP0489101
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| Compound Name |
3-[2-(6-butylpyridin-2-yl)ethynyl]benzonitrile
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| Structure |
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| Formula |
C18H16N2
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| Molecular Weight |
260.34
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| Canonical SMILES |
CCCCc1cccc(n1)C#Cc1cccc(c1)C#N
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| InChI |
InChI=1S/C18H16N2/c1-2-3-8-17-9-5-10-18(20-17)12-11-15-6-4-7-16(13-15)14-19/h4-7,9-10,13H,2-3,8H2,1H3
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| InChIKey |
AFBPMPLJMLNEHH-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