General Information of the Compound
| Compound ID |
CP0491339
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| Compound Name |
methyl 7-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-oxo-3,4-dihydrochromene-3-carboxylate
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| Structure |
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| Formula |
C29H25NO6
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| Molecular Weight |
483.52
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| Canonical SMILES |
COC(=O)C1Cc2ccc(OCCc3nc(oc3C)-c3ccc(cc3)-c3ccccc3)cc2OC1=O
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| InChI |
InChI=1S/C29H25NO6/c1-18-25(30-27(35-18)21-10-8-20(9-11-21)19-6-4-3-5-7-19)14-15-34-23-13-12-22-16-24(28(31)33-2)29(32)36-26(22)17-23/h3-13,17,24H,14-16H2,1-2H3
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| InChIKey |
ZTWQZGIOXRCDQP-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