General Information of the Compound
| Compound ID |
CP0376874
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| Compound Name |
4-methoxy-N-(2-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)benzamide
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| Structure |
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| Formula |
C20H17N5O2
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| Molecular Weight |
359.389
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| Canonical SMILES |
COc1ccc(cc1)C(=O)Nc1nc(nc2nn(C)cc12)-c1ccccc1
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| InChI |
InChI=1S/C20H17N5O2/c1-25-12-16-18(23-20(26)14-8-10-15(27-2)11-9-14)21-17(22-19(16)24-25)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,21,22,23,24,26)
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| InChIKey |
YEHUDYLWUFJTMH-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000102 | U-87MG ATCC | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 0.091 nM
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