General Information of the Compound
| Compound ID |
CP0477871
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| Compound Name |
methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxylate
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| Structure |
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| Formula |
C18H21N7O2
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| Molecular Weight |
367.413
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| Canonical SMILES |
COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NC1CCN(C)CC1
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| InChI |
InChI=1S/C18H21N7O2/c1-25-5-3-12(4-6-25)23-15-7-16(22-10-14(15)18(26)27-2)24-17-11-20-13(8-19)9-21-17/h7,9-12H,3-6H2,1-2H3,(H2,21,22,23,24)
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| InChIKey |
VWCOELSGXGLYKL-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