General Information of the Compound
| Compound ID |
CP0398132
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| Compound Name |
3-[2-methyl-4-[2-(2-methylpyridin-4-yl)ethynyl]imidazol-1-yl]benzonitrile
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| Structure |
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| Formula |
C19H14N4
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| Molecular Weight |
298.349
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| Canonical SMILES |
Cc1nc(cn1-c1cccc(c1)C#N)C#Cc1ccnc(C)c1
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| InChI |
InChI=1S/C19H14N4/c1-14-10-16(8-9-21-14)6-7-18-13-23(15(2)22-18)19-5-3-4-17(11-19)12-20/h3-5,8-11,13H,1-2H3
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| InChIKey |
LZGSRVSDTBYYNK-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