General Information of the Compound
| Compound ID |
CP0492734
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| Compound Name |
2-(naphthalen-2-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 |
C26H28N2O4
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| Molecular Weight |
432.52
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| Canonical SMILES |
C\C(=N/OCCCCO\N=C(\CCC(O)=O)c1ccccc1)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C26H28N2O4/c1-20(23-14-13-21-9-5-6-12-24(21)19-23)27-31-17-7-8-18-32-28-25(15-16-26(29)30)22-10-3-2-4-11-22/h2-6,9-14,19H,7-8,15-18H2,1H3,(H,29,30)/b27-20+,28-25-
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| InChIKey |
KFCRZRAUCOEGLD-FZEFFVDLSA-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