General Information of the Compound
| Compound ID |
CP0402920
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| Compound Name |
2-[[7-amino-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-2-yl]methyl]phenol
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| Structure |
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| Formula |
C16H13N5O2
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| Molecular Weight |
307.313
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| Canonical SMILES |
Nc1nc(nc2cn(Cc3ccccc3O)nc12)-c1ccco1
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| InChI |
InChI=1S/C16H13N5O2/c17-15-14-11(18-16(19-15)13-6-3-7-23-13)9-21(20-14)8-10-4-1-2-5-12(10)22/h1-7,9,22H,8H2,(H2,17,18,19)
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| InChIKey |
LFQIONJTAIBNFA-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