General Information of the Compound
| Compound ID |
CP0496575
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| Compound Name |
2-[5-Ethoxy-6-(6-methyl-pyridin-2-ylamino)-pyridin-3-yl]-benzonitrile
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| Structure |
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| Formula |
C20H18N4O
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| Molecular Weight |
330.391
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| Canonical SMILES |
CCOc1cc(cnc1Nc1cccc(C)n1)-c1ccccc1C#N
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| InChI |
InChI=1S/C20H18N4O/c1-3-25-18-11-16(17-9-5-4-8-15(17)12-21)13-22-20(18)24-19-10-6-7-14(2)23-19/h4-11,13H,3H2,1-2H3,(H,22,23,24)
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| InChIKey |
PVFREVVQIPXBLS-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