General Information of the Compound
| Compound ID |
CP0447442
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| Compound Name |
3-[2-({[1-(3-Methoxyphenyl)-3-methylbutyl]amino}carbonyl)-4-(phenoxymethyl)phenyl]propanoic acid
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| Structure |
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| Formula |
C29H33NO5
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| Molecular Weight |
475.585
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| Canonical SMILES |
COc1cccc(c1)C(CC(C)C)NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O
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| InChI |
InChI=1S/C29H33NO5/c1-20(2)16-27(23-8-7-11-25(18-23)34-3)30-29(33)26-17-21(12-13-22(26)14-15-28(31)32)19-35-24-9-5-4-6-10-24/h4-13,17-18,20,27H,14-16,19H2,1-3H3,(H,30,33)(H,31,32)
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| InChIKey |
HQKJWIPMGGAVGS-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