General Information of the Compound
| Compound ID |
CP0576200
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| Compound Name |
4-(fluoromethyl)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
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| Formula |
C19H25FN4O3S
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| Molecular Weight |
408.499
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| Canonical SMILES |
COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(CF)CC3)nc12
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| InChI |
InChI=1S/C19H25FN4O3S/c1-26-15-3-2-14(23-8-10-27-11-9-23)17-16(15)21-18(28-17)22-19(25)24-6-4-13(12-20)5-7-24/h2-3,13H,4-12H2,1H3,(H,21,22,25)
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| InChIKey |
FFLSMIVBQPLWHK-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