General Information of the Compound
| Compound ID |
CP0462695
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| Compound Name |
3-[2-({[1-(2-Fluorophenyl)-3-methylbutyl]amino}carbonyl)-4-(phenoxymethyl)phenyl]propanoic acid
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| Structure |
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| Formula |
C28H30FNO4
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| Molecular Weight |
463.549
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| Canonical SMILES |
CC(C)CC(NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O)c1ccccc1F
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| InChI |
InChI=1S/C28H30FNO4/c1-19(2)16-26(23-10-6-7-11-25(23)29)30-28(33)24-17-20(12-13-21(24)14-15-27(31)32)18-34-22-8-4-3-5-9-22/h3-13,17,19,26H,14-16,18H2,1-2H3,(H,30,33)(H,31,32)
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| InChIKey |
ZUASJMLJMPWKTC-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