General Information of the Compound
| Compound ID |
CP0000724
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| Compound Name |
3-[2-isobutoxy-5-(4-isobutoxybenzoyl)phenyl]propionic acid
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| Structure |
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| Formula |
C24H30O5
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| Molecular Weight |
398.499
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| Canonical SMILES |
CC(C)COc1ccc(cc1)C(=O)c1ccc(OCC(C)C)c(CCC(O)=O)c1
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| InChI |
InChI=1S/C24H30O5/c1-16(2)14-28-21-9-5-18(6-10-21)24(27)20-7-11-22(29-15-17(3)4)19(13-20)8-12-23(25)26/h5-7,9-11,13,16-17H,8,12,14-15H2,1-4H3,(H,25,26)
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| InChIKey |
IXOKIWZMTKUQKC-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