General Information of the Compound
| Compound ID |
CP0477869
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| Compound Name |
5-[[5-(3-hydroxy-3-methylbut-1-ynyl)-4-(piperidin-4-ylmethylamino)pyridin-2-yl]amino]pyrazine-2-carbonitrile
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| Structure |
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| Formula |
C21H25N7O
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| Molecular Weight |
391.479
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| Canonical SMILES |
CC(C)(O)C#Cc1cnc(Nc2cnc(cn2)C#N)cc1NCC1CCNCC1
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| InChI |
InChI=1S/C21H25N7O/c1-21(2,29)6-3-16-12-26-19(28-20-14-24-17(10-22)13-27-20)9-18(16)25-11-15-4-7-23-8-5-15/h9,12-15,23,29H,4-5,7-8,11H2,1-2H3,(H2,25,26,27,28)
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| InChIKey |
BVSIZDQHJCGHDR-UHFFFAOYSA-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