General Information of the Compound
| Compound ID |
CP0034712
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| Compound Name |
3-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propoxy)phenyl)-2-cyclobutylpropanoic acid
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| Structure |
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| Formula |
C28H28ClFO5
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| Molecular Weight |
498.978
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| Canonical SMILES |
OC(=O)C(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C1CCC1
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| InChI |
InChI=1S/C28H28ClFO5/c29-26-18-24(35-23-11-7-21(30)8-12-23)13-14-27(26)34-16-2-15-33-22-9-5-19(6-10-22)17-25(28(31)32)20-3-1-4-20/h5-14,18,20,25H,1-4,15-17H2,(H,31,32)
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| InChIKey |
GNUXGVDZLWXMPV-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