General Information of the Compound
| Compound ID |
CP0392598
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| Compound Name |
N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]benzamide
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| Structure |
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| Formula |
C25H19N5O2
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| Molecular Weight |
421.46
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| Canonical SMILES |
COc1ccc(cc1)-c1nc(NC(=O)c2ccccc2)c2nn(cc2n1)-c1ccccc1
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| InChI |
InChI=1S/C25H19N5O2/c1-32-20-14-12-17(13-15-20)23-26-21-16-30(19-10-6-3-7-11-19)29-22(21)24(27-23)28-25(31)18-8-4-2-5-9-18/h2-16H,1H3,(H,26,27,28,31)
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| InChIKey |
BDSWIUDQNNXKFK-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