General Information of the Compound
| Compound ID |
CP0371951
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| Compound Name |
2-(4-fluorophenyl)-11-phenyl-4,9-dioxa-3,10-diazatetradeca-2,10-dien-14-oic acid
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| Structure |
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| Formula |
C22H25FN2O4
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| Molecular Weight |
400.45
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| Canonical SMILES |
C\C(=N/OCCCCO\N=C(\CCC(O)=O)c1ccccc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C22H25FN2O4/c1-17(18-9-11-20(23)12-10-18)24-28-15-5-6-16-29-25-21(13-14-22(26)27)19-7-3-2-4-8-19/h2-4,7-12H,5-6,13-16H2,1H3,(H,26,27)/b24-17+,25-21-
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| InChIKey |
ZTKJKYNPWCDJDE-QLQAMPCKSA-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