General Information of the Compound
| Compound ID |
CP0486348
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| Compound Name |
4-(1-fluoro-2-hydroxypropan-2-yl)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
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| Formula |
C21H29FN4O4S
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| Molecular Weight |
452.552
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| Canonical SMILES |
COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(CC3)C(C)(O)CF)nc12
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| InChI |
InChI=1S/C21H29FN4O4S/c1-21(28,13-22)14-5-7-26(8-6-14)20(27)24-19-23-17-16(29-2)4-3-15(18(17)31-19)25-9-11-30-12-10-25/h3-4,14,28H,5-13H2,1-2H3,(H,23,24,27)
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| InChIKey |
XLSHBFBIJJWDBN-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