General Information of the Compound
| Compound ID |
CP0109922
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| Compound Name |
N-benzoyl-N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]benzamide
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| Structure |
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| Formula |
C30H21N5O4
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| Molecular Weight |
515.529
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| Canonical SMILES |
COc1ccc(cc1)-n1nc2c(nc3ccccc3n2c1=O)N(C(=O)c1ccccc1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C30H21N5O4/c1-39-23-18-16-22(17-19-23)35-30(38)33-25-15-9-8-14-24(25)31-26(27(33)32-35)34(28(36)20-10-4-2-5-11-20)29(37)21-12-6-3-7-13-21/h2-19H,1H3
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| InChIKey |
GTRCYAYRRCMTDF-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3