General Information of the Compound
| Compound ID |
CP0392545
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| Compound Name |
N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide
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| Structure |
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| Formula |
C22H15N5OS
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| Molecular Weight |
397.463
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| Canonical SMILES |
O=C(Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1)c1ccccc1
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| InChI |
InChI=1S/C22H15N5OS/c28-22(15-8-3-1-4-9-15)25-21-19-17(23-20(24-21)18-12-7-13-29-18)14-27(26-19)16-10-5-2-6-11-16/h1-14H,(H,23,24,25,28)
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| InChIKey |
LFCBEJQCVFVGBU-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