General Information of the Compound
| Compound ID |
CP0549892
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| Compound Name |
2-[6-[2-(hydroxymethyl)pyridin-4-yl]-5-methylpyridin-3-yl]-N-(5-pyrazin-2-ylpyridin-2-yl)acetamide
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| Structure |
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| Formula |
C23H20N6O2
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| Molecular Weight |
412.453
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| Canonical SMILES |
Cc1cc(CC(=O)Nc2ccc(cn2)-c2cnccn2)cnc1-c1ccnc(CO)c1
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| InChI |
InChI=1S/C23H20N6O2/c1-15-8-16(11-28-23(15)17-4-5-25-19(10-17)14-30)9-22(31)29-21-3-2-18(12-27-21)20-13-24-6-7-26-20/h2-8,10-13,30H,9,14H2,1H3,(H,27,29,31)
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| InChIKey |
YIPOQZJLJYLPFB-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