General Information of the Compound
| Compound ID |
CP0375421
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| Compound Name |
N-[4-phenyl-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]furan-2-carboxamide
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| Structure |
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| Formula |
C20H13N3O3S
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| Molecular Weight |
375.409
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| Canonical SMILES |
O=C(Nc1nc(c(s1)C(=O)c1ccccn1)-c1ccccc1)c1ccco1
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| InChI |
InChI=1S/C20H13N3O3S/c24-17(14-9-4-5-11-21-14)18-16(13-7-2-1-3-8-13)22-20(27-18)23-19(25)15-10-6-12-26-15/h1-12H,(H,22,23,25)
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| InChIKey |
RHHZLCANIMVIGB-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