General Information of the Compound
| Compound ID |
CP0395639
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| Compound Name |
4-chloro-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-amine
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| Structure |
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| Formula |
C13H12ClN5
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| Molecular Weight |
273.727
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| Canonical SMILES |
Nc1nc(Cl)c2cn(CCc3ccccc3)nc2n1
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| InChI |
InChI=1S/C13H12ClN5/c14-11-10-8-19(18-12(10)17-13(15)16-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,15,17,18)
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| InChIKey |
FRQJCYKNYRQSMZ-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