General Information of the Compound
| Compound ID |
CP0169779
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| Compound Name |
methyl 6-[[5-cyano-6-[(3R)-pyrrolidin-3-yl]oxypyrazin-2-yl]amino]-4-(dimethylamino)pyridine-3-carboxylate
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| Structure |
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| Formula |
C18H21N7O3
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| Molecular Weight |
383.412
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| Canonical SMILES |
COC(=O)c1cnc(Nc2cnc(C#N)c(O[C@@H]3CCNC3)n2)cc1N(C)C
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| InChI |
InChI=1S/C18H21N7O3/c1-25(2)14-6-15(22-9-12(14)18(26)27-3)23-16-10-21-13(7-19)17(24-16)28-11-4-5-20-8-11/h6,9-11,20H,4-5,8H2,1-3H3,(H,22,23,24)/t11-/m1/s1
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| InChIKey |
WRKXPHVHTUTPIF-LLVKDONJSA-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00865, Serine/threonine-protein kinase Chk1