General Information of the Compound
| Compound ID |
CP0169777
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| Compound Name |
3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[5-(1-methylpyrazol-4-yl)-4-methylsulfanylpyridin-2-yl]amino]pyrazine-2-carbonitrile
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| Structure |
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| Formula |
C20H24N8OS
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| Molecular Weight |
424.534
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| Canonical SMILES |
CSc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1-c1cnn(C)c1
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| InChI |
InChI=1S/C20H24N8OS/c1-13(11-27(2)3)29-20-16(7-21)22-10-19(26-20)25-18-6-17(30-5)15(9-23-18)14-8-24-28(4)12-14/h6,8-10,12-13H,11H2,1-5H3,(H,23,25,26)/t13-/m1/s1
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| InChIKey |
YRGAMYFKCGEVSN-CYBMUJFWSA-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