General Information of the Compound
| Compound ID |
CP0413679
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| Compound Name |
N-(5-phenyl-1H-1,2,4-triazol-3-yl)oxolane-2-carboxamide
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| Structure |
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| Formula |
C13H14N4O2
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| Molecular Weight |
258.281
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| Canonical SMILES |
O=C(Nc1nnc([nH]1)-c1ccccc1)C1CCCO1
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| InChI |
InChI=1S/C13H14N4O2/c18-12(10-7-4-8-19-10)15-13-14-11(16-17-13)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H2,14,15,16,17,18)
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| InChIKey |
YHMRHZJMVHSYBP-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