General Information of the Compound
| Compound ID |
CP0567379
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| Compound Name |
5-[[5-[(E)-4-hydroxybut-1-enyl]-4-(piperidin-4-ylmethylamino)pyridin-2-yl]amino]pyrazine-2-carbonitrile
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| Structure |
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| Formula |
C20H25N7O
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| Molecular Weight |
379.468
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| Canonical SMILES |
OCC\C=C\c1cnc(Nc2cnc(cn2)C#N)cc1NCC1CCNCC1
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| InChI |
InChI=1S/C20H25N7O/c21-10-17-13-26-20(14-23-17)27-19-9-18(16(12-25-19)3-1-2-8-28)24-11-15-4-6-22-7-5-15/h1,3,9,12-15,22,28H,2,4-8,11H2,(H2,24,25,26,27)/b3-1+
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| InChIKey |
HWJXFVLYPYGUCO-HNQUOIGGSA-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