General Information of the Compound
| Compound ID |
CP0474663
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| Compound Name |
(2-(1-(2-fluorobenzyl)piperidin-4-ylamino)-4-(furan-2-yl)thiazol-5-yl)(phenyl)methanone
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| Structure |
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| Formula |
C26H24FN3O2S
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| Molecular Weight |
461.562
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| Canonical SMILES |
Fc1ccccc1CN1CCC(CC1)Nc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C26H24FN3O2S/c27-21-10-5-4-9-19(21)17-30-14-12-20(13-15-30)28-26-29-23(22-11-6-16-32-22)25(33-26)24(31)18-7-2-1-3-8-18/h1-11,16,20H,12-15,17H2,(H,28,29)
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| InChIKey |
HVKJEQVCCNXTHI-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