General Information of the Compound
| Compound ID |
CP0544755
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| Compound Name |
ethyl 2-(2,2-dimethylpropyl)-6-[(4-fluorobenzoyl)amino]pyrazolo[3,4-d]pyrimidine-4-carboxylate
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| Structure |
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| Formula |
C20H22FN5O3
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| Molecular Weight |
399.426
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| Canonical SMILES |
CCOC(=O)c1nc(NC(=O)c2ccc(F)cc2)nc2nn(CC(C)(C)C)cc12
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| InChI |
InChI=1S/C20H22FN5O3/c1-5-29-18(28)15-14-10-26(11-20(2,3)4)25-16(14)23-19(22-15)24-17(27)12-6-8-13(21)9-7-12/h6-10H,5,11H2,1-4H3,(H,23,24,25,27)
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| InChIKey |
AOHCYMLALZJVBO-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