General Information of the Compound
| Compound ID |
CP0436874
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| Compound Name |
2-(6-chloro-4-methyl-1H-benzo[d]imidazol-2-yl)quinoxaline
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| Structure |
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| Formula |
C16H11ClN4
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| Molecular Weight |
294.745
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| Canonical SMILES |
Cc1cc(Cl)cc2[nH]c(nc12)-c1cnc2ccccc2n1
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| InChI |
InChI=1S/C16H11ClN4/c1-9-6-10(17)7-13-15(9)21-16(20-13)14-8-18-11-4-2-3-5-12(11)19-14/h2-8H,1H3,(H,20,21)
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| InChIKey |
XDMKSMUNVABQNX-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