General Information of the Compound
| Compound ID |
CP0394627
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| Compound Name |
(2-chlorophenyl)methyl 2-(furan-2-yl)-5-(methylamino)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
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| Structure |
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| Formula |
C18H14ClN5O3
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| Molecular Weight |
383.795
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| Canonical SMILES |
CNc1ncc(C(=O)OCc2ccccc2Cl)c2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C18H14ClN5O3/c1-20-18-21-9-12(17(25)27-10-11-5-2-3-6-13(11)19)16-22-15(23-24(16)18)14-7-4-8-26-14/h2-9H,10H2,1H3,(H,20,21)
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| InChIKey |
WBMARTCQUWTJOJ-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