General Information of the Compound
| Compound ID |
CP0529842
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| Compound Name |
3-(2-(5-methylpyridin-2-yl)ethynyl)-5-nitrobenzonitrile
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| Structure |
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| Formula |
C15H9N3O2
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| Molecular Weight |
263.256
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| Canonical SMILES |
Cc1ccc(nc1)C#Cc1cc(cc(c1)[N+]([O-])=O)C#N
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| InChI |
InChI=1S/C15H9N3O2/c1-11-2-4-14(17-10-11)5-3-12-6-13(9-16)8-15(7-12)18(19)20/h2,4,6-8,10H,1H3
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| InChIKey |
XGVCFRWPSGKHTB-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