General Information of the Compound
| Compound ID |
CP0475133
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| Compound Name |
3-(2-(3-methyl-1-o-tolylbutylcarbamoyl)-4-(phenoxymethyl)phenyl)propanoic acid
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| Structure |
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| Formula |
C29H33NO4
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| Molecular Weight |
459.586
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| Canonical SMILES |
CC(C)CC(NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O)c1ccccc1C
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| InChI |
InChI=1S/C29H33NO4/c1-20(2)17-27(25-12-8-7-9-21(25)3)30-29(33)26-18-22(13-14-23(26)15-16-28(31)32)19-34-24-10-5-4-6-11-24/h4-14,18,20,27H,15-17,19H2,1-3H3,(H,30,33)(H,31,32)
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| InChIKey |
VWAJGZMJLDKULL-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