General Information of the Compound
| Compound ID |
CP0453444
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| Compound Name |
2-(4-nitro-1H-benzo[d]imidazol-2-yl)quinoxaline
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| Synonyms |
2-(4-nitro-1H-benzo[d]imidazol-2-yl)quinoxaline
CHEMBL198060
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| Structure |
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| Formula |
C15H9N5O2
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| Molecular Weight |
291.27
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| Canonical SMILES |
[O-][N+](=O)c1cccc2[nH]c(nc12)-c1cnc2ccccc2n1
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| InChI |
InChI=1S/C15H9N5O2/c21-20(22)13-7-3-6-11-14(13)19-15(18-11)12-8-16-9-4-1-2-5-10(9)17-12/h1-8H,(H,18,19)
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| InChIKey |
RDSFCGCNTCJZOD-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