General Information of the Compound
| Compound ID |
CP0479810
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| Compound Name |
1-(4-methoxyphenyl)-3-(2-phenethyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)urea
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| Structure |
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| Formula |
C27H24N6O2
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| Molecular Weight |
464.529
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| Canonical SMILES |
COc1ccc(NC(=O)Nc2nc(nc3nn(CCc4ccccc4)cc23)-c2ccccc2)cc1
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| InChI |
InChI=1S/C27H24N6O2/c1-35-22-14-12-21(13-15-22)28-27(34)31-25-23-18-33(17-16-19-8-4-2-5-9-19)32-26(23)30-24(29-25)20-10-6-3-7-11-20/h2-15,18H,16-17H2,1H3,(H2,28,29,30,31,32,34)
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| InChIKey |
FOHWYCWAJRLLBM-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