General Information of the Compound
| Compound ID |
CP0436205
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| Compound Name |
3-[2-(Pyridin-2-ylamino)-5-[1,2,4]triazol-1-yl-thiazol-4-yl]-benzonitrile
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| Structure |
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| Formula |
C17H11N7S
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| Molecular Weight |
345.391
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| Canonical SMILES |
N#Cc1cccc(c1)-c1nc(Nc2ccccn2)sc1-n1cncn1
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| InChI |
InChI=1S/C17H11N7S/c18-9-12-4-3-5-13(8-12)15-16(24-11-19-10-21-24)25-17(23-15)22-14-6-1-2-7-20-14/h1-8,10-11H,(H,20,22,23)
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| InChIKey |
SVYGARKLCHDCRO-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