General Information of the Compound
| Compound ID |
CP0401648
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| Compound Name |
2-(4-(methylsulfonyl)phenyl)-11-phenyl-4,9-dioxa-3,10-diazatetradeca-2,10-dien-14-oic acid
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| Structure |
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| Formula |
C23H28N2O6S
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| Molecular Weight |
460.552
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| Canonical SMILES |
C\C(=N/OCCCCO\N=C(\CCC(O)=O)c1ccccc1)c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C23H28N2O6S/c1-18(19-10-12-21(13-11-19)32(2,28)29)24-30-16-6-7-17-31-25-22(14-15-23(26)27)20-8-4-3-5-9-20/h3-5,8-13H,6-7,14-17H2,1-2H3,(H,26,27)/b24-18+,25-22-
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| InChIKey |
KUHWEXZKYYSHFA-PFSMGOMWSA-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