General Information of the Compound
| Compound ID |
CP0247155
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| Compound Name |
2-[3,5-bis(2-phenylethoxy)phenyl]sulfanylhexanoic acid
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| Structure |
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| Formula |
C28H32O4S
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| Molecular Weight |
464.627
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| Canonical SMILES |
CCCCC(Sc1cc(OCCc2ccccc2)cc(OCCc2ccccc2)c1)C(O)=O
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| InChI |
InChI=1S/C28H32O4S/c1-2-3-14-27(28(29)30)33-26-20-24(31-17-15-22-10-6-4-7-11-22)19-25(21-26)32-18-16-23-12-8-5-9-13-23/h4-13,19-21,27H,2-3,14-18H2,1H3,(H,29,30)
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| InChIKey |
YPUJBYXOCXRKCD-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