General Information of the Compound
| Compound ID |
CP0372722
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| Compound Name |
2-[[3-[[[4-(1-adamantyl)benzoyl]amino]methyl]-4-hexoxyphenyl]methyl]butanoic acid
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| Structure |
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| Formula |
C35H47NO4
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| Molecular Weight |
545.764
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| Canonical SMILES |
CCCCCCOc1ccc(CC(CC)C(O)=O)cc1CNC(=O)c1ccc(cc1)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C35H47NO4/c1-3-5-6-7-14-40-32-13-8-24(18-28(4-2)34(38)39)19-30(32)23-36-33(37)29-9-11-31(12-10-29)35-20-25-15-26(21-35)17-27(16-25)22-35/h8-13,19,25-28H,3-7,14-18,20-23H2,1-2H3,(H,36,37)(H,38,39)
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| InChIKey |
PCCSZLRCEHQSME-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