General Information of the Compound
| Compound ID |
CP0571395
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| Compound Name |
4-fluoro-4-(hydroxymethyl)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
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| Formula |
C19H25FN4O4S
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| Molecular Weight |
424.498
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| Canonical SMILES |
COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(F)(CO)CC3)nc12
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| InChI |
InChI=1S/C19H25FN4O4S/c1-27-14-3-2-13(23-8-10-28-11-9-23)16-15(14)21-17(29-16)22-18(26)24-6-4-19(20,12-25)5-7-24/h2-3,25H,4-12H2,1H3,(H,21,22,26)
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| InChIKey |
JQBOBZKXJWNDHE-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