General Information of the Compound
| Compound ID |
CP0374481
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| Compound Name |
2-[3-(3-{(2,4-Bis-trifluoromethyl-benzyl)-[2-(3,4-dichloro-phenoxy)-acetyl]-amino}-propyl)-phenoxy]-2-methyl-propionic acid
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| Structure |
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| Formula |
C30H27Cl2F6NO5
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| Molecular Weight |
666.442
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| Canonical SMILES |
CC(C)(Oc1cccc(CCCN(Cc2ccc(cc2C(F)(F)F)C(F)(F)F)C(=O)COc2ccc(Cl)c(Cl)c2)c1)C(O)=O
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| InChI |
InChI=1S/C30H27Cl2F6NO5/c1-28(2,27(41)42)44-22-7-3-5-18(13-22)6-4-12-39(26(40)17-43-21-10-11-24(31)25(32)15-21)16-19-8-9-20(29(33,34)35)14-23(19)30(36,37)38/h3,5,7-11,13-15H,4,6,12,16-17H2,1-2H3,(H,41,42)
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| InChIKey |
HZHNVQAONNDZTQ-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: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma