General Information of the Compound
| Compound ID |
CP0385445
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| Compound Name |
4-methoxy-N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide
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| Structure |
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| Formula |
C26H21N5O3
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| Molecular Weight |
451.486
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| Canonical SMILES |
COc1ccc(cc1)C(=O)Nc1nc(nc2cn(nc12)-c1ccccc1)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C26H21N5O3/c1-33-20-12-8-17(9-13-20)24-27-22-16-31(19-6-4-3-5-7-19)30-23(22)25(28-24)29-26(32)18-10-14-21(34-2)15-11-18/h3-16H,1-2H3,(H,27,28,29,32)
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| InChIKey |
GSEGJZFOTNWVGT-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