General Information of the Compound
| Compound ID |
CP0523476
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| Compound Name |
ethyl 2-methyl-2-[4-(6-nitro-2-oxochromene-3-carbonyl)phenoxy]propanoate
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| Structure |
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| Formula |
C22H19NO8
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| Molecular Weight |
425.393
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| Canonical SMILES |
CCOC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1cc2cc(ccc2oc1=O)[N+]([O-])=O
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| InChI |
InChI=1S/C22H19NO8/c1-4-29-21(26)22(2,3)31-16-8-5-13(6-9-16)19(24)17-12-14-11-15(23(27)28)7-10-18(14)30-20(17)25/h5-12H,4H2,1-3H3
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| InChIKey |
PCRGCILEQFHDCQ-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