General Information of the Compound
| Compound ID |
CP0400423
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| Compound Name |
N-[6-(3-fluorophenyl)-5-pyridin-4-ylpyridin-2-yl]cyclopropanecarboxamide
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| Structure |
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| Formula |
C20H16FN3O
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| Molecular Weight |
333.366
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| Canonical SMILES |
Fc1cccc(c1)-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1
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| InChI |
InChI=1S/C20H16FN3O/c21-16-3-1-2-15(12-16)19-17(13-8-10-22-11-9-13)6-7-18(23-19)24-20(25)14-4-5-14/h1-3,6-12,14H,4-5H2,(H,23,24,25)
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| InChIKey |
XTKWYENKGIRGAI-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