General Information of the Compound
| Compound ID |
CP0400895
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| Compound Name |
2-Amino-4-(3-methyl-phenyl)-6-furan-2-yl-nicotinonitrile
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| Structure |
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| Formula |
C17H13N3O
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| Molecular Weight |
275.311
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| Canonical SMILES |
Cc1cccc(c1)-c1cc(nc(N)c1C#N)-c1ccco1
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| InChI |
InChI=1S/C17H13N3O/c1-11-4-2-5-12(8-11)13-9-15(16-6-3-7-21-16)20-17(19)14(13)10-18/h2-9H,1H3,(H2,19,20)
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| InChIKey |
DCSSTJJPBVIDFO-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