General Information of the Compound
| Compound ID |
CP0394632
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| Compound Name |
N-benzhydryl-5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
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| Structure |
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| Formula |
C32H28N6O4
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| Molecular Weight |
560.614
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| Canonical SMILES |
COc1ccc(CNc2ncc(C(=O)NC(c3ccccc3)c3ccccc3)c3nc(nn23)-c2ccco2)cc1OC
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| InChI |
InChI=1S/C32H28N6O4/c1-40-25-16-15-21(18-27(25)41-2)19-33-32-34-20-24(30-36-29(37-38(30)32)26-14-9-17-42-26)31(39)35-28(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-18,20,28H,19H2,1-2H3,(H,33,34)(H,35,39)
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| InChIKey |
MWOWEAQGGNMMNY-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