General Information of the Compound
| Compound ID |
CP0877796
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| Compound Name |
3-[2-(Pyrazin-2-ylamino)-5-[1,2,4]triazol-1-yl-thiazol-4-yl]-benzonitrile
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| Structure |
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| Formula |
C16H10N8S
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| Molecular Weight |
346.379
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| Canonical SMILES |
N#Cc1cccc(-c2nc(Nc3cnccn3)sc2-n2cncn2)c1
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| InChI |
InChI=1S/C16H10N8S/c17-7-11-2-1-3-12(6-11)14-15(24-10-19-9-21-24)25-16(23-14)22-13-8-18-4-5-20-13/h1-6,8-10H,(H,20,22,23)
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| InChIKey |
IDBKPZKIXIAOMU-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