General Information of the Compound
| Compound ID |
CP0401665
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| Compound Name |
3-[4-[(3-Cyanophenoxy)methyl]-2-({[1-(4-fluorophenyl)-3-methylbutyl]amino}carbonyl)phenyl]propanoic acid
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| Structure |
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| Formula |
C29H29FN2O4
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| Molecular Weight |
488.559
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| Canonical SMILES |
CC(C)CC(NC(=O)c1cc(COc2cccc(c2)C#N)ccc1CCC(O)=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C29H29FN2O4/c1-19(2)14-27(23-8-11-24(30)12-9-23)32-29(35)26-16-21(6-7-22(26)10-13-28(33)34)18-36-25-5-3-4-20(15-25)17-31/h3-9,11-12,15-16,19,27H,10,13-14,18H2,1-2H3,(H,32,35)(H,33,34)
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| InChIKey |
QJALELWCHCKRGI-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