General Information of the Compound
| Compound ID |
CP0503490
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| Compound Name |
N-(3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-yl)thiophene-2-carboxamide
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| Structure |
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| Formula |
C22H16N6OS
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| Molecular Weight |
412.478
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| Canonical SMILES |
O=C(Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1)c1cccs1
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| InChI |
InChI=1S/C22H16N6OS/c29-22(17-12-7-13-30-17)25-20-18-21(24-19(23-20)16-10-5-2-6-11-16)28(27-26-18)14-15-8-3-1-4-9-15/h1-13H,14H2,(H,23,24,25,29)
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| InChIKey |
SNIUMEAFFOTCJB-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