General Information of the Compound
| Compound ID |
CP0373873
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| Compound Name |
2-Amino-4-(4-hydroxy-phenyl)-6-furan-2-yl-nicotinonitrile
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| Structure |
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| Formula |
C16H11N3O2
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| Molecular Weight |
277.283
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| Canonical SMILES |
Nc1nc(cc(-c2ccc(O)cc2)c1C#N)-c1ccco1
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| InChI |
InChI=1S/C16H11N3O2/c17-9-13-12(10-3-5-11(20)6-4-10)8-14(19-16(13)18)15-2-1-7-21-15/h1-8,20H,(H2,18,19)
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| InChIKey |
JTWDMUSVRPDKBP-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