General Information of the Compound
| Compound ID |
CP0392121
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| Compound Name |
2-(4-(methylthio)-1H-benzo[d]imidazol-2-yl)quinoxaline
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| Structure |
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| Formula |
C16H12N4S
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| Molecular Weight |
292.367
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| Canonical SMILES |
CSc1cccc2nc([nH]c12)-c1cnc2ccccc2n1
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| InChI |
InChI=1S/C16H12N4S/c1-21-14-8-4-7-12-15(14)20-16(19-12)13-9-17-10-5-2-3-6-11(10)18-13/h2-9H,1H3,(H,19,20)
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| InChIKey |
HAMGUANOHQDGAL-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