General Information of the Compound
| Compound ID |
CP0159874
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| Compound Name |
2-(4-(4-(2-chloro-4-(4-fluorophenoxy)phenoxy)butoxy)phenoxy)-2-methylpropanoic acid
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| Structure |
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| Formula |
C26H26ClFO6
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| Molecular Weight |
488.939
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| Canonical SMILES |
CC(C)(Oc1ccc(OCCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
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| InChI |
InChI=1S/C26H26ClFO6/c1-26(2,25(29)30)34-21-11-9-19(10-12-21)31-15-3-4-16-32-24-14-13-22(17-23(24)27)33-20-7-5-18(28)6-8-20/h5-14,17H,3-4,15-16H2,1-2H3,(H,29,30)
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| InChIKey |
DDPMKDJRWHFNKY-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