General Information of the Compound
| Compound ID |
CP0379859
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| Compound Name |
2-[(3-methoxyphenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine
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| Structure |
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| Formula |
C18H17N5O2
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| Molecular Weight |
335.367
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| Canonical SMILES |
COc1cccc(Cn2cc3nc(nc(N)c3n2)-c2ccc(C)o2)c1
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| InChI |
InChI=1S/C18H17N5O2/c1-11-6-7-15(25-11)18-20-14-10-23(22-16(14)17(19)21-18)9-12-4-3-5-13(8-12)24-2/h3-8,10H,9H2,1-2H3,(H2,19,20,21)
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| InChIKey |
TWUUVOAFXFRSQO-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: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3