General Information of the Compound
| Compound ID |
CP0495406
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| Compound Name |
N-[2-[[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]amino]ethyl]acetamide
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| Structure |
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| Formula |
C18H17N3O3S
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| Molecular Weight |
355.419
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| Canonical SMILES |
CC(=O)NCCNc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C18H17N3O3S/c1-12(22)19-9-10-20-18-21-15(14-8-5-11-24-14)17(25-18)16(23)13-6-3-2-4-7-13/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21)
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| InChIKey |
QCWIIINNGDMPMR-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