General Information of the Compound
| Compound ID |
CP0552172
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| Compound Name |
methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-(2-piperidin-4-ylethylamino)pyridine-3-carboxylate
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| Structure |
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| Formula |
C19H23N7O2
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| Molecular Weight |
381.44
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| Canonical SMILES |
COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NCCC1CCNCC1
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| InChI |
InChI=1S/C19H23N7O2/c1-28-19(27)15-11-25-17(26-18-12-23-14(9-20)10-24-18)8-16(15)22-7-4-13-2-5-21-6-3-13/h8,10-13,21H,2-7H2,1H3,(H2,22,24,25,26)
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| InChIKey |
KMQKUYZPKPAMNR-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