General Information of the Compound
| Compound ID |
CP0401451
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| Compound Name |
N-(2-benzylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide
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| Structure |
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| Formula |
C19H15N5O
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| Molecular Weight |
329.363
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| Canonical SMILES |
O=C(Nc1ncnc2nn(Cc3ccccc3)cc12)c1ccccc1
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| InChI |
InChI=1S/C19H15N5O/c25-19(15-9-5-2-6-10-15)22-17-16-12-24(23-18(16)21-13-20-17)11-14-7-3-1-4-8-14/h1-10,12-13H,11H2,(H,20,21,22,23,25)
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| InChIKey |
ZUVPPWNUOQRGRM-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