General Information of the Compound
| Compound ID |
CP0400889
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| Compound Name |
2-Amino-4-[3-(methyl)phenyl]-6-phenyl-3-pyridinecarbonitrile
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| Structure |
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| Formula |
C19H15N3
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| Molecular Weight |
285.35
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| Canonical SMILES |
Cc1cccc(c1)-c1cc(nc(N)c1C#N)-c1ccccc1
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| InChI |
InChI=1S/C19H15N3/c1-13-6-5-9-15(10-13)16-11-18(14-7-3-2-4-8-14)22-19(21)17(16)12-20/h2-11H,1H3,(H2,21,22)
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| InChIKey |
UQMCAXCQKMLISS-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