General Information of the Compound
| Compound ID |
CP0401376
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| Compound Name |
3-[2-[({1-[3-Fluoro-4-(trifluoromethyl)phenyl]-3-methylbutyl}amino)carbonyl]-4-(phenoxymethyl)phenyl]propanoic acid
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| Structure |
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| Formula |
C29H29F4NO4
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| Molecular Weight |
531.546
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| Canonical SMILES |
CC(C)CC(NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O)c1ccc(c(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C29H29F4NO4/c1-18(2)14-26(21-10-12-24(25(30)16-21)29(31,32)33)34-28(37)23-15-19(8-9-20(23)11-13-27(35)36)17-38-22-6-4-3-5-7-22/h3-10,12,15-16,18,26H,11,13-14,17H2,1-2H3,(H,34,37)(H,35,36)
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| InChIKey |
WIRJDSFCSUNLAH-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