General Information of the Compound
| Compound ID |
CP0554617
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| Compound Name |
methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]pyridine-3-carboxylate
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| Structure |
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| Formula |
C20H23N7O2
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| Molecular Weight |
393.451
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| Canonical SMILES |
COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NC1C[C@@H]2CC[C@H](C1)N2C
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| InChI |
InChI=1S/C20H23N7O2/c1-27-14-3-4-15(27)6-12(5-14)25-17-7-18(24-10-16(17)20(28)29-2)26-19-11-22-13(8-21)9-23-19/h7,9-12,14-15H,3-6H2,1-2H3,(H2,23,24,25,26)/t12?,14-,15+
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| InChIKey |
HUAGSKZSJRBBRA-LQDVMPOASA-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