General Information of the Compound
| Compound ID |
CP0434929
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| Compound Name |
ethyl 2-(furan-2-yl)-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
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| Structure |
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| Formula |
C19H24N6O5
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| Molecular Weight |
416.438
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| Canonical SMILES |
CCOC(=O)c1cnc(NCCNC(=O)OC(C)(C)C)n2nc(nc12)-c1ccco1
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| InChI |
InChI=1S/C19H24N6O5/c1-5-28-16(26)12-11-22-17(20-8-9-21-18(27)30-19(2,3)4)25-15(12)23-14(24-25)13-7-6-10-29-13/h6-7,10-11H,5,8-9H2,1-4H3,(H,20,22)(H,21,27)
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| InChIKey |
HUFLEYUDQOMVLQ-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