General Information of the Compound
| Compound ID |
CP0564317
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| Compound Name |
5-[[5-(3-hydroxypropyl)-4-(piperidin-4-ylmethylamino)pyridin-2-yl]amino]pyrazine-2-carbonitrile
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| Structure |
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| Formula |
C19H25N7O
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| Molecular Weight |
367.457
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| Canonical SMILES |
OCCCc1cnc(Nc2cnc(cn2)C#N)cc1NCC1CCNCC1
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| InChI |
InChI=1S/C19H25N7O/c20-9-16-12-25-19(13-22-16)26-18-8-17(15(11-24-18)2-1-7-27)23-10-14-3-5-21-6-4-14/h8,11-14,21,27H,1-7,10H2,(H2,23,24,25,26)
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| InChIKey |
ARCKEDFLGKMUNT-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