General Information of the Compound
| Compound ID |
CP0477936
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| Compound Name |
N-[2-(4-chlorophenyl)-1-oxotriazolo[1,2-a][1,2,4]benzotriazin-5-yl]-4-methoxybenzamide
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| Structure |
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| Formula |
C23H16ClN5O3
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| Molecular Weight |
445.866
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| Canonical SMILES |
COc1ccc(cc1)C(=O)Nc1nc2ccccc2n2n1nc(-c1ccc(Cl)cc1)c2=O
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| InChI |
InChI=1S/C23H16ClN5O3/c1-32-17-12-8-15(9-13-17)21(30)26-23-25-18-4-2-3-5-19(18)28-22(31)20(27-29(23)28)14-6-10-16(24)11-7-14/h2-13H,1H3,(H,25,26,30)
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| InChIKey |
BVEZIYPLUYORNU-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