General Information of the Compound
| Compound ID |
CP0377266
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| Compound Name |
CHEMBL520856
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| Formula |
C19H28O7S
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| Molecular Weight |
400.493
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| Canonical SMILES |
C[C@]1(OC[C@H](CCCCCCc2ccc(OS(C)(=O)=O)cc2)CO1)C(O)=O
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| InChI |
InChI=1S/C19H28O7S/c1-19(18(20)21)24-13-16(14-25-19)8-6-4-3-5-7-15-9-11-17(12-10-15)26-27(2,22)23/h9-12,16H,3-8,13-14H2,1-2H3,(H,20,21)/t16-,19+
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| InChIKey |
BZGGPIUEBLFMLY-UWUNEBHHSA-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
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma