General Information of the Compound
| Compound ID |
CP0401283
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| Compound Name |
3-[5-Imidazol-1-yl-2-(pyridin-3-ylamino)-thiazol-4-yl]-benzonitrile
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| Structure |
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| Formula |
C18H12N6S
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| Molecular Weight |
344.403
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| Canonical SMILES |
N#Cc1cccc(c1)-c1nc(Nc2cccnc2)sc1-n1ccnc1
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| InChI |
InChI=1S/C18H12N6S/c19-10-13-3-1-4-14(9-13)16-17(24-8-7-21-12-24)25-18(23-16)22-15-5-2-6-20-11-15/h1-9,11-12H,(H,22,23)
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| InChIKey |
PWPMYBIVOMROSC-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