General Information of the Compound
| Compound ID |
CP0456121
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| Compound Name |
2-[6-amino-3,5-dicyano-4-[4-(2-methylpropoxy)phenyl]pyridin-2-yl]sulfanylacetamide
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| Structure |
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| Formula |
C19H19N5O2S
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| Molecular Weight |
381.461
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| Canonical SMILES |
CC(C)COc1ccc(cc1)-c1c(C#N)c(N)nc(SCC(N)=O)c1C#N
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| InChI |
InChI=1S/C19H19N5O2S/c1-11(2)9-26-13-5-3-12(4-6-13)17-14(7-20)18(23)24-19(15(17)8-21)27-10-16(22)25/h3-6,11H,9-10H2,1-2H3,(H2,22,25)(H2,23,24)
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| InChIKey |
RXIAEMUBUHXFFR-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