General Information of the Compound
| Compound ID |
CP0086197
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| Compound Name |
2-[[2,3-bis(2-phenylethoxy)phenyl]methyl]hexanoic acid
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| Structure |
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| Formula |
C29H34O4
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| Molecular Weight |
446.587
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| Canonical SMILES |
CCCCC(Cc1cccc(OCCc2ccccc2)c1OCCc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C29H34O4/c1-2-3-15-26(29(30)31)22-25-16-10-17-27(32-20-18-23-11-6-4-7-12-23)28(25)33-21-19-24-13-8-5-9-14-24/h4-14,16-17,26H,2-3,15,18-22H2,1H3,(H,30,31)
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| InChIKey |
YDHGSYFSHRPUIJ-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