General Information of the Compound
| Compound ID |
CP0492706
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| Compound Name |
(+/-)-2-{3-[(4-Adamantan-1-yl-benzoylamino)-methyl]-5-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(F)c(OC)c(CNC(=O)c2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1)C(O)=O
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| InChI |
InChI=1S/C30H36FNO4/c1-3-22(29(34)35)11-18-12-24(27(36-2)26(31)13-18)17-32-28(33)23-4-6-25(7-5-23)30-14-19-8-20(15-30)10-21(9-19)16-30/h4-7,12-13,19-22H,3,8-11,14-17H2,1-2H3,(H,32,33)(H,34,35)
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| InChIKey |
OXCSNXHRBNHNAM-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