General Information of the Compound
| Compound ID |
CP0409543
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| Compound Name |
N-[2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-yl]-3-phenylpropanamide
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| Structure |
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| Formula |
C22H17N5O2
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| Molecular Weight |
383.411
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| Canonical SMILES |
O=C(CCc1ccccc1)Nc1nc2ccccc2n2nc(nc12)-c1ccco1
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| InChI |
InChI=1S/C22H17N5O2/c28-19(13-12-15-7-2-1-3-8-15)24-21-22-25-20(18-11-6-14-29-18)26-27(22)17-10-5-4-9-16(17)23-21/h1-11,14H,12-13H2,(H,23,24,28)
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| InChIKey |
GWCXAWLJUDTYNC-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