General Information of the Compound
| Compound ID |
CP0550409
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| Compound Name |
7-(3,4,5-trimethoxyanilino)-1H-pyrazolo[3,4-c]pyridine-5-carbonitrile
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| Structure |
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| Formula |
C16H15N5O3
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| Molecular Weight |
325.328
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| Canonical SMILES |
COc1cc(Nc2nc(cc3cn[nH]c23)C#N)cc(OC)c1OC
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| InChI |
InChI=1S/C16H15N5O3/c1-22-12-5-10(6-13(23-2)15(12)24-3)19-16-14-9(8-18-21-14)4-11(7-17)20-16/h4-6,8H,1-3H3,(H,18,21)(H,19,20)
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| InChIKey |
BKEVNHGVRXQWRJ-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
Protein ID: PT00840, Adenosine receptor A1
Protein ID: PT01279, Adenosine receptor A3