General Information of the Compound
| Compound ID |
CP0372719
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| Compound Name |
(+/-)-2-{3-[(4-Adamantan-1-yl-benzoylamino)-methyl]-4-methoxy-benzyl}-butyric acid
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| Structure |
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| Formula |
C30H37NO4
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| Molecular Weight |
475.629
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| Canonical SMILES |
CCC(Cc1ccc(OC)c(CNC(=O)c2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1)C(O)=O
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| InChI |
InChI=1S/C30H37NO4/c1-3-23(29(33)34)13-19-4-9-27(35-2)25(14-19)18-31-28(32)24-5-7-26(8-6-24)30-15-20-10-21(16-30)12-22(11-20)17-30/h4-9,14,20-23H,3,10-13,15-18H2,1-2H3,(H,31,32)(H,33,34)
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| InChIKey |
ZJCRQDAZZZBPKA-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