General Information of the Compound
| Compound ID |
CP0277635
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| Compound Name |
N-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]azetidin-3-yl]-5-methylpyridine-3-carboxamide
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| Structure |
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| Formula |
C21H26FN3O3
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| Molecular Weight |
387.455
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| Canonical SMILES |
CCOc1cc(CN2CC(C2)NC(=O)c2cncc(C)c2)cc(OCC)c1F
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| InChI |
InChI=1S/C21H26FN3O3/c1-4-27-18-7-15(8-19(20(18)22)28-5-2)11-25-12-17(13-25)24-21(26)16-6-14(3)9-23-10-16/h6-10,17H,4-5,11-13H2,1-3H3,(H,24,26)
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| InChIKey |
WISBOMVTORMKRV-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