General Information of the Compound
| Compound ID |
CP0915991
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| Compound Name |
3-[5-Imidazol-1-yl-2-(3-methyl-pyridin-2-ylamino)-thiazol-4-yl]-benzonitrile
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| Structure |
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| Formula |
C19H14N6S
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| Molecular Weight |
358.43
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| Canonical SMILES |
Cc1cccnc1Nc1nc(-c2cccc(C#N)c2)c(-n2ccnc2)s1
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| InChI |
InChI=1S/C19H14N6S/c1-13-4-3-7-22-17(13)24-19-23-16(15-6-2-5-14(10-15)11-20)18(26-19)25-9-8-21-12-25/h2-10,12H,1H3,(H,22,23,24)
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| InChIKey |
CPRZIJNONQTTAX-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