General Information of the Compound
| Compound ID |
CP0383622
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| Compound Name |
3-[2-({[1-(3-Fluoro-4-methoxyphenyl)-3-methylbutyl]-amino}carbonyl)-4-(phenoxymethyl)phenyl]propanoic acid
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| Structure |
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| Formula |
C29H32FNO5
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| Molecular Weight |
493.575
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| Canonical SMILES |
COc1ccc(cc1F)C(CC(C)C)NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O
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| InChI |
InChI=1S/C29H32FNO5/c1-19(2)15-26(22-11-13-27(35-3)25(30)17-22)31-29(34)24-16-20(9-10-21(24)12-14-28(32)33)18-36-23-7-5-4-6-8-23/h4-11,13,16-17,19,26H,12,14-15,18H2,1-3H3,(H,31,34)(H,32,33)
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| InChIKey |
WWXJECJLRYIVOD-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