General Information of the Compound
| Compound ID |
CP0390194
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| Compound Name |
3-[2-{[(3-Hydroxy-3-methyl-1-phenylbutyl)amino]carbonyl}-4-(phenoxymethyl)phenyl]propanoic acid
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| Structure |
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| Formula |
C28H31NO5
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| Molecular Weight |
461.558
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| Canonical SMILES |
CC(C)(O)CC(NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O)c1ccccc1
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| InChI |
InChI=1S/C28H31NO5/c1-28(2,33)18-25(22-9-5-3-6-10-22)29-27(32)24-17-20(13-14-21(24)15-16-26(30)31)19-34-23-11-7-4-8-12-23/h3-14,17,25,33H,15-16,18-19H2,1-2H3,(H,29,32)(H,30,31)
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| InChIKey |
XLEYZHTVSAIJHV-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