General Information of the Compound
| Compound ID |
CP0422713
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| Compound Name |
(+/-)-2-{5-[(4-Adamantan-1-yl-2-fluoro-benzoylamino)-methyl]-4-ethoxy-2-fluoro-benzyl}-butyric acid
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| Structure |
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| Formula |
C31H37F2NO4
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| Molecular Weight |
525.636
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| Canonical SMILES |
CCOc1cc(F)c(CC(CC)C(O)=O)cc1CNC(=O)c1ccc(cc1F)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C31H37F2NO4/c1-3-21(30(36)37)10-22-11-23(28(38-4-2)13-26(22)32)17-34-29(35)25-6-5-24(12-27(25)33)31-14-18-7-19(15-31)9-20(8-18)16-31/h5-6,11-13,18-21H,3-4,7-10,14-17H2,1-2H3,(H,34,35)(H,36,37)
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| InChIKey |
PPXZIVISQNAYKI-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