General Information of the Compound
| Compound ID |
CP0439435
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| Compound Name |
N-benzoyl-N-(1-oxo-2-phenyltriazolo[1,2-a][1,2,4]benzotriazin-5-yl)benzamide
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| Structure |
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| Formula |
C29H19N5O3
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| Molecular Weight |
485.503
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| Canonical SMILES |
O=C(N(C(=O)c1ccccc1)c1nc2ccccc2n2n1nc(-c1ccccc1)c2=O)c1ccccc1
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| InChI |
InChI=1S/C29H19N5O3/c35-26(21-14-6-2-7-15-21)32(27(36)22-16-8-3-9-17-22)29-30-23-18-10-11-19-24(23)33-28(37)25(31-34(29)33)20-12-4-1-5-13-20/h1-19H
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| InChIKey |
CQAIQADUPVBHNR-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