General Information of the Compound
| Compound ID |
CP0421990
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| Compound Name |
1-(2-benzyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-(3-chlorophenyl)urea
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| Structure |
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| Formula |
C25H19ClN6O
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| Molecular Weight |
454.921
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| Canonical SMILES |
Clc1cccc(NC(=O)Nc2nc(nc3nn(Cc4ccccc4)cc23)-c2ccccc2)c1
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| InChI |
InChI=1S/C25H19ClN6O/c26-19-12-7-13-20(14-19)27-25(33)30-23-21-16-32(15-17-8-3-1-4-9-17)31-24(21)29-22(28-23)18-10-5-2-6-11-18/h1-14,16H,15H2,(H2,27,28,29,30,31,33)
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| InChIKey |
OUSVGIIJFWDOKZ-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