General Information of the Compound
| Compound ID |
CP0859355
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| Compound Name |
3-[5-(2-methylimidazol-1-yl)-2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]benzonitrile
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| Structure |
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| Formula |
C18H13N7S
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| Molecular Weight |
359.418
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| Canonical SMILES |
Cc1nccn1-c1sc(Nc2cnccn2)nc1-c1cccc(C#N)c1
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| InChI |
InChI=1S/C18H13N7S/c1-12-21-7-8-25(12)17-16(14-4-2-3-13(9-14)10-19)24-18(26-17)23-15-11-20-5-6-22-15/h2-9,11H,1H3,(H,22,23,24)
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| InChIKey |
YNGFNKUXMJZNCR-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: PT01279, Adenosine receptor A3