General Information of the Compound
| Compound ID |
CP0306961
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| Compound Name |
(Z)-8-{(2R,3S,4R)-2-[(E)-(S)-4-(3-Chloro-phenoxy)-3-hydroxy-but-1-enyl]-4-hydroxy-tetrahydro-furan-3-yl}-oct-6-enoic acid
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| Structure |
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| Formula |
C22H29ClO6
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| Molecular Weight |
424.921
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| Canonical SMILES |
O[C@H](COc1cccc(Cl)c1)\C=C\[C@H]1OC[C@H](O)[C@@H]1C\C=C/CCCCC(O)=O
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| InChI |
InChI=1S/C22H29ClO6/c23-16-7-6-8-18(13-16)28-14-17(24)11-12-21-19(20(25)15-29-21)9-4-2-1-3-5-10-22(26)27/h2,4,6-8,11-13,17,19-21,24-25H,1,3,5,9-10,14-15H2,(H,26,27)/b4-2-,12-11+/t17-,19-,20-,21+/m0/s1
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| InChIKey |
WDOKPGCUULCOLP-LIUQAAIZSA-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