General Information of the Compound
| Compound ID |
CP0400898
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| Compound Name |
2-Amino-6-phenyl-4-thiophen-2-yl-nicotinonitrile
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| Synonyms |
2-Amino-6-phenyl-4-thiophen-2-yl-nicotinonitrile
AC1MNMTO
AKOS000286735
BDBM50262440
CHEMBL476298
ZINC33468133
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| Structure |
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| Formula |
C16H11N3S
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| Molecular Weight |
277.352
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| Canonical SMILES |
Nc1nc(cc(-c2cccs2)c1C#N)-c1ccccc1
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| InChI |
InChI=1S/C16H11N3S/c17-10-13-12(15-7-4-8-20-15)9-14(19-16(13)18)11-5-2-1-3-6-11/h1-9H,(H2,18,19)
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| InChIKey |
WFWGQLLRRFDTHC-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
Clinical Information about the Compound