General Information of the Compound
| Compound ID |
CP0444847
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| Compound Name |
2,6-Difluoro-3-({2-[tris-(4-methoxyphenyl)methoxy]ethylamino}methyl)phenol
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| Structure |
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| Formula |
C31H31F2NO5
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| Molecular Weight |
535.587
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| Canonical SMILES |
COc1ccc(cc1)C(OCCNCc1ccc(F)c(O)c1F)(c1ccc(OC)cc1)c1ccc(OC)cc1
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| InChI |
InChI=1S/C31H31F2NO5/c1-36-25-11-5-22(6-12-25)31(23-7-13-26(37-2)14-8-23,24-9-15-27(38-3)16-10-24)39-19-18-34-20-21-4-17-28(32)30(35)29(21)33/h4-17,34-35H,18-20H2,1-3H3
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| InChIKey |
VXXIFIVVSIXQML-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