General Information of the Compound
| Compound ID |
CP0377678
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| Compound Name |
(4-(furan-2-yl)-2-(methyl(2-(thiophen-2-yl)ethyl)amino)thiazol-5-yl)(phenyl)methanone
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| Structure |
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| Formula |
C21H18N2O2S2
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| Molecular Weight |
394.521
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| Canonical SMILES |
CN(CCc1cccs1)c1nc(-c2ccco2)c(s1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C21H18N2O2S2/c1-23(12-11-16-9-6-14-26-16)21-22-18(17-10-5-13-25-17)20(27-21)19(24)15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3
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| InChIKey |
YNKWDHWPAYXFLC-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