General Information of the Compound
| Compound ID |
CP0177523
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| Compound Name |
(2E)-2-[[5-(1-benzothiophen-2-ylmethoxy)-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylidene]hexanoic acid
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| Structure |
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| Formula |
C30H27F3O4S
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| Molecular Weight |
540.603
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| Canonical SMILES |
CCCC\C(=C/c1cc(OCc2cc3ccccc3s2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C30H27F3O4S/c1-2-3-6-22(29(34)35)15-23-16-25(36-19-26-17-21-7-4-5-8-28(21)38-26)13-14-27(23)37-18-20-9-11-24(12-10-20)30(31,32)33/h4-5,7-17H,2-3,6,18-19H2,1H3,(H,34,35)/b22-15+
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| InChIKey |
GHNMAZMUPWVZNB-PXLXIMEGSA-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