General Information of the Compound
| Compound ID |
CP0077696
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| Compound Name |
2-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propoxy)benzyl)-2-ethylbutanoic acid
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| Structure |
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| Formula |
C28H30ClFO5
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| Molecular Weight |
500.994
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| Canonical SMILES |
CCC(CC)(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
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| InChI |
InChI=1S/C28H30ClFO5/c1-3-28(4-2,27(31)32)19-20-6-10-22(11-7-20)33-16-5-17-34-26-15-14-24(18-25(26)29)35-23-12-8-21(30)9-13-23/h6-15,18H,3-5,16-17,19H2,1-2H3,(H,31,32)
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| InChIKey |
BQEHYSRPYVMYQA-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