General Information of the Compound
| Compound ID |
CP0041794
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| Compound Name |
(E)-3-{3-(2-Carboxy-ethyl)-4-[6-(4-methoxy-phenyl)-hex-5-enyloxy]-benzoyl}-benzoic acid
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| Synonyms |
CGS-23131
LY-223980
LY-223982
LY-255253
SKF-107324
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| Structure |
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| Formula |
C30H30O7
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| Molecular Weight |
502.563
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| Canonical SMILES |
COc1ccc(\C=C\CCCCOc2ccc(cc2CCC(O)=O)C(=O)c2cccc(c2)C(O)=O)cc1
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| InChI |
InChI=1S/C30H30O7/c1-36-26-14-10-21(11-15-26)7-4-2-3-5-18-37-27-16-12-24(19-22(27)13-17-28(31)32)29(33)23-8-6-9-25(20-23)30(34)35/h4,6-12,14-16,19-20H,2-3,5,13,17-18H2,1H3,(H,31,32)(H,34,35)/b7-4+
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| InChIKey |
SYZSSLLFRVDRHL-QPJJXVBHSA-N
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| CAS |
117423-74-2
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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
Clinical Information about the Compound