General Information of the Compound
| Compound ID |
CP0379845
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| Compound Name |
5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid
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| Structure |
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| Formula |
C19H17N5O5
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| Molecular Weight |
395.375
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| Canonical SMILES |
COc1ccc(CNc2ncc(C(O)=O)c3nc(nn23)-c2ccco2)cc1OC
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| InChI |
InChI=1S/C19H17N5O5/c1-27-13-6-5-11(8-15(13)28-2)9-20-19-21-10-12(18(25)26)17-22-16(23-24(17)19)14-4-3-7-29-14/h3-8,10H,9H2,1-2H3,(H,20,21)(H,25,26)
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| InChIKey |
DNLBKTPXMZBOFK-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