General Information of the Compound
| Compound ID |
CP0402433
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| Compound Name |
(E)-2-(2-(3-(4-(4-(4-Chlorophenoxy)butoxy)phenyl)acryloyl)-5-fluorophenoxy)acetic acid
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| Structure |
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| Formula |
C27H24ClFO6
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| Molecular Weight |
498.934
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| Canonical SMILES |
OC(=O)COc1ccc(F)cc1C(=O)\C=C\c1ccc(OCCCCOc2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C27H24ClFO6/c28-20-6-11-23(12-7-20)34-16-2-1-15-33-22-9-3-19(4-10-22)5-13-25(30)24-17-21(29)8-14-26(24)35-18-27(31)32/h3-14,17H,1-2,15-16,18H2,(H,31,32)/b13-5+
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| InChIKey |
PVGQVLFSGMNKNJ-WLRTZDKTSA-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