General Information of the Compound
| Compound ID |
CP0474662
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| Compound Name |
(2-(3,4-difluorobenzylamino)-4-(furan-2-yl)thiazol-5-yl)(phenyl)methanone
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| Structure |
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| Formula |
C21H14F2N2O2S
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| Molecular Weight |
396.418
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| Canonical SMILES |
Fc1ccc(CNc2nc(-c3ccco3)c(s2)C(=O)c2ccccc2)cc1F
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| InChI |
InChI=1S/C21H14F2N2O2S/c22-15-9-8-13(11-16(15)23)12-24-21-25-18(17-7-4-10-27-17)20(28-21)19(26)14-5-2-1-3-6-14/h1-11H,12H2,(H,24,25)
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| InChIKey |
PJBOAYIIKGMTMD-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