General Information of the Compound
| Compound ID |
CP0428048
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| Compound Name |
4-[6-fluoro-2,2-bis-(4-fluoro-phenyl)-benzo[1,3]dioxol-5-ylmethyl]-morpholine
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| Structure |
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| Formula |
C24H20F3NO3
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| Molecular Weight |
427.422
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| Canonical SMILES |
Fc1ccc(cc1)C1(Oc2cc(F)c(CN3CCOCC3)cc2O1)c1ccc(F)cc1
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| InChI |
InChI=1S/C24H20F3NO3/c25-19-5-1-17(2-6-19)24(18-3-7-20(26)8-4-18)30-22-13-16(21(27)14-23(22)31-24)15-28-9-11-29-12-10-28/h1-8,13-14H,9-12,15H2
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| InChIKey |
NBHSLCWSMRDUQJ-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