General Information of the Compound
| Compound ID |
CP0376872
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| Compound Name |
2-benzyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C18H15N5
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| Molecular Weight |
301.353
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| Canonical SMILES |
Nc1nc(nc2nn(Cc3ccccc3)cc12)-c1ccccc1
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| InChI |
InChI=1S/C18H15N5/c19-16-15-12-23(11-13-7-3-1-4-8-13)22-18(15)21-17(20-16)14-9-5-2-6-10-14/h1-10,12H,11H2,(H2,19,20,21,22)
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| InChIKey |
RLZOZEUGOWAPTC-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