General Information of the Compound
| Compound ID |
CP0435754
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| Compound Name |
N-(4-chloro-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl)-4-fluorobenzamide
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| Structure |
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| Formula |
C15H13ClFN5O
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| Molecular Weight |
333.754
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| Canonical SMILES |
CC(C)n1cc2c(Cl)nc(NC(=O)c3ccc(F)cc3)nc2n1
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| InChI |
InChI=1S/C15H13ClFN5O/c1-8(2)22-7-11-12(16)18-15(19-13(11)21-22)20-14(23)9-3-5-10(17)6-4-9/h3-8H,1-2H3,(H,19,20,21,23)
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| InChIKey |
LQJITLWNERWBOM-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