General Information of the Compound
| Compound ID |
CP0492732
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| Compound Name |
2-(biphenyl-3-yl)-11-phenyl-4,9-dioxa-3,10-diazatetradeca-2,10-dien-14-oic acid
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| Structure |
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| Formula |
C28H30N2O4
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| Molecular Weight |
458.558
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| Canonical SMILES |
C\C(=N/OCCCCO\N=C(\CCC(O)=O)c1ccccc1)c1cccc(c1)-c1ccccc1
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| InChI |
InChI=1S/C28H30N2O4/c1-22(25-15-10-16-26(21-25)23-11-4-2-5-12-23)29-33-19-8-9-20-34-30-27(17-18-28(31)32)24-13-6-3-7-14-24/h2-7,10-16,21H,8-9,17-20H2,1H3,(H,31,32)/b29-22+,30-27-
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| InChIKey |
JEYYIEGZMBGNNH-DNLCAZFRSA-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