General Information of the Compound
| Compound ID |
CP0487999
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| Compound Name |
4-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]morpholine
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| Structure |
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| Formula |
C18H18ClF2NO2
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| Molecular Weight |
353.796
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| Canonical SMILES |
FC(F)Oc1ccc(CN2CCOCC2)cc1-c1cccc(Cl)c1
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| InChI |
InChI=1S/C18H18ClF2NO2/c19-15-3-1-2-14(11-15)16-10-13(4-5-17(16)24-18(20)21)12-22-6-8-23-9-7-22/h1-5,10-11,18H,6-9,12H2
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| InChIKey |
BRCBXFIWTKOPQK-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