General Information of the Compound
| Compound ID |
CP0077693
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| Compound Name |
2-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propoxy)benzyl)-2-methylbutanoic acid
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| Structure |
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| Formula |
C27H28ClFO5
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| Molecular Weight |
486.967
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| Canonical SMILES |
CCC(C)(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
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| InChI |
InChI=1S/C27H28ClFO5/c1-3-27(2,26(30)31)18-19-5-9-21(10-6-19)32-15-4-16-33-25-14-13-23(17-24(25)28)34-22-11-7-20(29)8-12-22/h5-14,17H,3-4,15-16,18H2,1-2H3,(H,30,31)
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| InChIKey |
SGYYFIRXDUVJLR-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