General Information of the Compound
| Compound ID |
CP0400196
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| Compound Name |
(2-(benzyl(furan-2-ylmethyl)amino)-4-(furan-2-yl)thiazol-5-yl)(phenyl)methanone
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| Structure |
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| Formula |
C26H20N2O3S
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| Molecular Weight |
440.524
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| Canonical SMILES |
O=C(c1sc(nc1-c1ccco1)N(Cc1ccco1)Cc1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C26H20N2O3S/c29-24(20-11-5-2-6-12-20)25-23(22-14-8-16-31-22)27-26(32-25)28(18-21-13-7-15-30-21)17-19-9-3-1-4-10-19/h1-16H,17-18H2
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| InChIKey |
UXTNNVIYBQKXOL-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