General Information of the Compound
| Compound ID |
CP0515271
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| Compound Name |
(4-(furan-2-yl)-2-(3-phenylpropylamino)thiazol-5-yl)(phenyl)methanone
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| Structure |
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| Formula |
C23H20N2O2S
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| Molecular Weight |
388.492
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| Canonical SMILES |
O=C(c1sc(NCCCc2ccccc2)nc1-c1ccco1)c1ccccc1
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| InChI |
InChI=1S/C23H20N2O2S/c26-21(18-12-5-2-6-13-18)22-20(19-14-8-16-27-19)25-23(28-22)24-15-7-11-17-9-3-1-4-10-17/h1-6,8-10,12-14,16H,7,11,15H2,(H,24,25)
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| InChIKey |
VZEXLUMZSFKUJP-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