General Information of the Compound
| Compound ID |
CP0449140
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| Compound Name |
2-(furan-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-amine
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| Structure |
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| Formula |
C21H17N5O
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| Molecular Weight |
355.401
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| Canonical SMILES |
C(Cc1ccccc1)Nc1nc2ccccc2n2nc(nc12)-c1ccco1
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| InChI |
InChI=1S/C21H17N5O/c1-2-7-15(8-3-1)12-13-22-20-21-24-19(18-11-6-14-27-18)25-26(21)17-10-5-4-9-16(17)23-20/h1-11,14H,12-13H2,(H,22,23)
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| InChIKey |
SOIJNPBARRJPSD-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: PT01279, Adenosine receptor A3