General Information of the Compound
| Compound ID |
CP0164857
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| Compound Name |
7-{(R)-2-[(E)-3-Hydroxy-3-(3-phenoxy-phenyl)-propenyl]-5-oxo-pyrrolidin-1-yl}-heptanoic acid
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| Structure |
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| Formula |
C26H31NO5
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| Molecular Weight |
437.536
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| Canonical SMILES |
OC(\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O)c1cccc(Oc2ccccc2)c1
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| InChI |
InChI=1S/C26H31NO5/c28-24(20-9-8-12-23(19-20)32-22-10-4-3-5-11-22)16-14-21-15-17-25(29)27(21)18-7-2-1-6-13-26(30)31/h3-5,8-12,14,16,19,21,24,28H,1-2,6-7,13,15,17-18H2,(H,30,31)/b16-14+/t21-,24?/m0/s1
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| InChIKey |
XEKOCLUFIOKTLU-HXDDMXKHSA-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