General Information of the Compound
| Compound ID |
CP0490970
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| Compound Name |
N-[5-pyridin-4-yl-6-(1,3-thiazol-5-yl)pyridin-2-yl]cyclopropanecarboxamide
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| Structure |
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| Formula |
C17H14N4OS
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| Molecular Weight |
322.393
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| Canonical SMILES |
O=C(Nc1ccc(-c2ccncc2)c(n1)-c1cncs1)C1CC1
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| InChI |
InChI=1S/C17H14N4OS/c22-17(12-1-2-12)21-15-4-3-13(11-5-7-18-8-6-11)16(20-15)14-9-19-10-23-14/h3-10,12H,1-2H2,(H,20,21,22)
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| InChIKey |
RBIFOILYUCIGQJ-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3