General Information of the Compound
| Compound ID |
CP0401374
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| Compound Name |
3-[2-({[1-(3-Fluoro-4-methylphenyl)-3-methylbutyl]-amino}carbonyl)-4-(phenoxymethyl)phenyl]propanoic acid
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| Structure |
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| Formula |
C29H32FNO4
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| Molecular Weight |
477.576
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| Canonical SMILES |
CC(C)CC(NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O)c1ccc(C)c(F)c1
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| InChI |
InChI=1S/C29H32FNO4/c1-19(2)15-27(23-11-9-20(3)26(30)17-23)31-29(34)25-16-21(10-12-22(25)13-14-28(32)33)18-35-24-7-5-4-6-8-24/h4-12,16-17,19,27H,13-15,18H2,1-3H3,(H,31,34)(H,32,33)
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| InChIKey |
OWFLBMKLSVEXQW-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