General Information of the Compound
| Compound ID |
CP0387915
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| Compound Name |
(2-(2-(benzo[d][1,3]dioxol-5-yl)ethylamino)-4-(furan-2-yl)thiazol-5-yl)(phenyl)methanone
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| Structure |
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| Formula |
C23H18N2O4S
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| Molecular Weight |
418.474
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| Canonical SMILES |
O=C(c1sc(NCCc2ccc3OCOc3c2)nc1-c1ccco1)c1ccccc1
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| InChI |
InChI=1S/C23H18N2O4S/c26-21(16-5-2-1-3-6-16)22-20(18-7-4-12-27-18)25-23(30-22)24-11-10-15-8-9-17-19(13-15)29-14-28-17/h1-9,12-13H,10-11,14H2,(H,24,25)
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| InChIKey |
ORZFUSWWXUVGND-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