General Information of the Compound
| Compound ID |
CP0477181
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| Compound Name |
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(furan-2-yl)-5-(methylamino)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
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| Structure |
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| Formula |
C21H22N6O4
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| Molecular Weight |
422.445
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| Canonical SMILES |
CNc1ncc(C(=O)NCCc2ccc(OC)c(OC)c2)c2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C21H22N6O4/c1-22-21-24-12-14(19-25-18(26-27(19)21)16-5-4-10-31-16)20(28)23-9-8-13-6-7-15(29-2)17(11-13)30-3/h4-7,10-12H,8-9H2,1-3H3,(H,22,24)(H,23,28)
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| InChIKey |
IPODLSBKCXDISS-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