General Information of the Compound
| Compound ID |
CP0418075
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| Compound Name |
6-amino-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C14H14N6O
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| Molecular Weight |
282.307
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| Canonical SMILES |
NC(=O)c1nc(N)nc2nn(CCc3ccccc3)cc12
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| InChI |
InChI=1S/C14H14N6O/c15-12(21)11-10-8-20(19-13(10)18-14(16)17-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,15,21)(H2,16,18,19)
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| InChIKey |
XHQCEONSIXZRNZ-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3