General Information of the Compound
| Compound ID |
CP0477273
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| Compound Name |
phenylpropanoic acid derivative, 17a
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| Structure |
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| Formula |
C26H25NO3S
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| Molecular Weight |
431.557
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| Canonical SMILES |
Cc1oc(nc1CCCc1ccc(CC(C(O)=O)c2ccsc2)cc1)-c1ccccc1
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| InChI |
InChI=1S/C26H25NO3S/c1-18-24(27-25(30-18)21-7-3-2-4-8-21)9-5-6-19-10-12-20(13-11-19)16-23(26(28)29)22-14-15-31-17-22/h2-4,7-8,10-15,17,23H,5-6,9,16H2,1H3,(H,28,29)
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| InChIKey |
QGGKTJRXTNLFPW-UHFFFAOYSA-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