General Information of the Compound
| Compound ID |
CP0382082
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| Compound Name |
3-[3-[[[4-(1-adamantyl)benzoyl]amino]methyl]-4-methoxyphenyl]-2-methylpropanoic acid
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| Structure |
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| Formula |
C29H35NO4
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| Molecular Weight |
461.602
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| Canonical SMILES |
COc1ccc(CC(C)C(O)=O)cc1CNC(=O)c1ccc(cc1)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C29H35NO4/c1-18(28(32)33)9-19-3-8-26(34-2)24(13-19)17-30-27(31)23-4-6-25(7-5-23)29-14-20-10-21(15-29)12-22(11-20)16-29/h3-8,13,18,20-22H,9-12,14-17H2,1-2H3,(H,30,31)(H,32,33)
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| InChIKey |
BAMPTNHBDXHDRO-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: PT00915, Peroxisome proliferator-activated receptor gamma