General Information of the Compound
| Compound ID |
CP0193925
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| Compound Name |
7-{(R)-2-[(E)-3-(2'-Chloro-biphenyl-3-yl)-3-hydroxy-propenyl]-5-oxo-pyrrolidin-1-yl}-heptanoic acid
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| Structure |
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| Formula |
C26H30ClNO4
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| Molecular Weight |
455.982
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| Canonical SMILES |
OC(\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O)c1cccc(c1)-c1ccccc1Cl
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| InChI |
InChI=1S/C26H30ClNO4/c27-23-11-5-4-10-22(23)19-8-7-9-20(18-19)24(29)15-13-21-14-16-25(30)28(21)17-6-2-1-3-12-26(31)32/h4-5,7-11,13,15,18,21,24,29H,1-3,6,12,14,16-17H2,(H,31,32)/b15-13+/t21-,24?/m0/s1
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| InChIKey |
OEHMXTMWNITFGU-JGFNQCIISA-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