General Information of the Compound
| Compound ID |
CP0256603
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| Compound Name |
3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-(methylamino)pyridin-2-yl]amino]pyrazine-2-carbonitrile
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| Structure |
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| Formula |
C16H21N7O
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| Molecular Weight |
327.392
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| Canonical SMILES |
CNc1ccnc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)c1
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| InChI |
InChI=1S/C16H21N7O/c1-11(10-23(3)4)24-16-13(8-17)20-9-15(22-16)21-14-7-12(18-2)5-6-19-14/h5-7,9,11H,10H2,1-4H3,(H2,18,19,21,22)/t11-/m1/s1
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| InChIKey |
SIMIJFXHWJHJLE-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