General Information of the Compound
| Compound ID |
CP0416457
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| Compound Name |
10-(4-chlorophenyl)-3-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one
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| Structure |
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| Formula |
C21H13ClN4O
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| Molecular Weight |
372.815
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| Canonical SMILES |
Clc1ccc(cc1)-n1c2ccccc2n2c1nnc(-c1ccccc1)c2=O
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| InChI |
InChI=1S/C21H13ClN4O/c22-15-10-12-16(13-11-15)25-17-8-4-5-9-18(17)26-20(27)19(23-24-21(25)26)14-6-2-1-3-7-14/h1-13H
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| InChIKey |
GPIBZONCMPLCMY-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