General Information of the Compound
| Compound ID |
CP0376877
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| Compound Name |
N-(2-benzylpyrazolo[3,4-d]pyrimidin-4-yl)-4-methoxybenzamide
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| Structure |
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| Formula |
C20H17N5O2
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| Molecular Weight |
359.389
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| Canonical SMILES |
COc1ccc(cc1)C(=O)Nc1ncnc2nn(Cc3ccccc3)cc12
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| InChI |
InChI=1S/C20H17N5O2/c1-27-16-9-7-15(8-10-16)20(26)23-18-17-12-25(24-19(17)22-13-21-18)11-14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3,(H,21,22,23,24,26)
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| InChIKey |
GRNUFXUVUIZJBM-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: PT00862, Adenosine receptor A2a
Protein ID: PT01279, Adenosine receptor A3