General Information of the Compound
| Compound ID |
CP0422717
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| Compound Name |
(+/-)-2-{5-[(4-Adamantan-1-yl-benzoylamino)-methyl]-2-fluoro-4-methoxy-benzyl}-butyric acid
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| Structure |
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| Formula |
C30H36FNO4
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| Molecular Weight |
493.619
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| Canonical SMILES |
CCC(Cc1cc(CNC(=O)c2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c(OC)cc1F)C(O)=O
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| InChI |
InChI=1S/C30H36FNO4/c1-3-21(29(34)35)11-23-12-24(27(36-2)13-26(23)31)17-32-28(33)22-4-6-25(7-5-22)30-14-18-8-19(15-30)10-20(9-18)16-30/h4-7,12-13,18-21H,3,8-11,14-17H2,1-2H3,(H,32,33)(H,34,35)
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| InChIKey |
ZYTAJJSXWKDKGN-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