General Information of the Compound
| Compound ID |
CP0392546
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| Compound Name |
4-methoxy-N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide
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| Structure |
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| Formula |
C23H17N5O2S
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| Molecular Weight |
427.489
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| Canonical SMILES |
COc1ccc(cc1)C(=O)Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1
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| InChI |
InChI=1S/C23H17N5O2S/c1-30-17-11-9-15(10-12-17)23(29)26-22-20-18(24-21(25-22)19-8-5-13-31-19)14-28(27-20)16-6-3-2-4-7-16/h2-14H,1H3,(H,24,25,26,29)
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| InChIKey |
YGPGBSCVCVIVGO-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: PT01279, Adenosine receptor A3
Protein ID: PT01827, Adenosine receptor A3