General Information of the Compound
| Compound ID |
CP0530887
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| Compound Name |
(2R)-2-[[3-[[[4-(1-adamantyl)benzoyl]amino]methyl]-4-propoxyphenyl]methyl]-4-phenylbutanoic acid
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| Structure |
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| Formula |
C38H45NO4
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| Molecular Weight |
579.781
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| Canonical SMILES |
CCCOc1ccc(C[C@@H](CCc2ccccc2)C(O)=O)cc1CNC(=O)c1ccc(cc1)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C38H45NO4/c1-2-16-43-35-15-9-27(20-32(37(41)42)10-8-26-6-4-3-5-7-26)21-33(35)25-39-36(40)31-11-13-34(14-12-31)38-22-28-17-29(23-38)19-30(18-28)24-38/h3-7,9,11-15,21,28-30,32H,2,8,10,16-20,22-25H2,1H3,(H,39,40)(H,41,42)/t28?,29?,30?,32-,38?/m1/s1
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| InChIKey |
LRXGJOXZHIWAFZ-XVDLPIACSA-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