General Information of the Compound
| Compound ID |
CP0424403
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| Compound Name |
7-chloro-3-(furan-2-yl)-10-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one
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| Structure |
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| Formula |
C19H11ClN4O2
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| Molecular Weight |
362.776
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| Canonical SMILES |
Clc1ccc2n(-c3ccccc3)c3nnc(-c4ccco4)c(=O)n3c2c1
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| InChI |
InChI=1S/C19H11ClN4O2/c20-12-8-9-14-15(11-12)24-18(25)17(16-7-4-10-26-16)21-22-19(24)23(14)13-5-2-1-3-6-13/h1-11H
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| InChIKey |
OEWNQGXQPWIWBZ-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3