General Information of the Compound
| Compound ID |
CP0513784
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| Compound Name |
4-(2-fluoroethyl)-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
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| Formula |
C20H27FN4O4S
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| Molecular Weight |
438.525
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| Canonical SMILES |
COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(O)(CCF)CC3)nc12
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| InChI |
InChI=1S/C20H27FN4O4S/c1-28-15-3-2-14(24-10-12-29-13-11-24)17-16(15)22-18(30-17)23-19(26)25-8-5-20(27,4-7-21)6-9-25/h2-3,27H,4-13H2,1H3,(H,22,23,26)
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| InChIKey |
SARLGQILBNHBNH-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