General Information of the Compound
| Compound ID |
CP0419600
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| Compound Name |
2-[4-(ethylsulfanyl)-1H-1,3-benzodiazol-2-yl]quinoxaline
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| Synonyms |
2-(4-ethylthiobenzimidazol-2-yl)quinoxaline
2-[4-(ethylsulfanyl)-1H-benzimidazol-2-yl]quinoxaline
BDBM21216
CHEMBL198008
benzimidazole-quinoxaline, C2
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| Structure |
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| Formula |
C17H14N4S
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| Molecular Weight |
306.394
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| Canonical SMILES |
CCSc1cccc2nc([nH]c12)-c1cnc2ccccc2n1
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| InChI |
InChI=1S/C17H14N4S/c1-2-22-15-9-5-8-13-16(15)21-17(20-13)14-10-18-11-6-3-4-7-12(11)19-14/h3-10H,2H2,1H3,(H,20,21)
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| InChIKey |
IHVQPVYBIZVMSJ-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
Clinical Information about the Compound