General Information of the Compound
| Compound ID |
CP0469489
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| Compound Name |
2-[6-amino-3,5-dicyano-4-(4-ethoxyphenyl)pyridin-2-yl]sulfanyl-N-methylacetamide
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| Structure |
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| Formula |
C18H17N5O2S
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| Molecular Weight |
367.434
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| Canonical SMILES |
CCOc1ccc(cc1)-c1c(C#N)c(N)nc(SCC(=O)NC)c1C#N
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| InChI |
InChI=1S/C18H17N5O2S/c1-3-25-12-6-4-11(5-7-12)16-13(8-19)17(21)23-18(14(16)9-20)26-10-15(24)22-2/h4-7H,3,10H2,1-2H3,(H2,21,23)(H,22,24)
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| InChIKey |
CLAMMXDRXFDLCJ-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3