General Information of the Compound
| Compound ID |
CP0409043
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| Compound Name |
N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)pyridine-4-carboxamide
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| Structure |
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| Formula |
C21H14N6OS
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| Molecular Weight |
398.451
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| Canonical SMILES |
O=C(Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1)c1ccncc1
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| InChI |
InChI=1S/C21H14N6OS/c28-21(14-8-10-22-11-9-14)25-20-18-16(23-19(24-20)17-7-4-12-29-17)13-27(26-18)15-5-2-1-3-6-15/h1-13H,(H,23,24,25,28)
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| InChIKey |
QWKYIMRQSGMPPV-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