General Information of the Compound
| Compound ID |
CP0053313
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| Compound Name |
3-(Pyridin-2-ylethynyl)-1H-pyrazolo[3,4-b]pyridine
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| Structure |
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| Formula |
C13H8N4
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| Molecular Weight |
220.235
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| Canonical SMILES |
c1cncc(c1)C#Cc1n[nH]c2ncccc12
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| InChI |
InChI=1S/C13H8N4/c1-3-10(9-14-7-1)5-6-12-11-4-2-8-15-13(11)17-16-12/h1-4,7-9H,(H,15,16,17)
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| InChIKey |
BYOMFJXWNOZSOO-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