General Information of the Compound
| Compound ID |
CP0394380
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| Compound Name |
4-(5-Amino-2-furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ylamino)-phenol
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| Structure |
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| Formula |
C17H14N8O2
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| Molecular Weight |
362.353
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| Canonical SMILES |
Cn1nc2nc(N)n3nc(nc3c2c1Nc1ccc(O)cc1)-c1ccco1
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| InChI |
InChI=1S/C17H14N8O2/c1-24-15(19-9-4-6-10(26)7-5-9)12-14(22-24)21-17(18)25-16(12)20-13(23-25)11-3-2-8-27-11/h2-8,19,26H,1H3,(H2,18,21,22)
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| InChIKey |
LCVAZAVJTMEJQT-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