General Information of the Compound
| Compound ID |
CP0423262
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| Compound Name |
3-benzyl-5-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
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| Structure |
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| Formula |
C17H14N6
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| Molecular Weight |
302.341
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| Canonical SMILES |
Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
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| InChI |
InChI=1S/C17H14N6/c18-15-14-17(20-16(19-15)13-9-5-2-6-10-13)23(22-21-14)11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,18,19,20)
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| InChIKey |
MYSWGJASKRUDKS-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: PT00862, Adenosine receptor A2a
Protein ID: PT01279, Adenosine receptor A3