General Information of the Compound
| Compound ID |
CP0373663
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| Compound Name |
3-[2-({[1-(3-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)c1cccc(F)c1
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| InChI |
InChI=1S/C28H30FNO4/c1-19(2)15-26(22-7-6-8-23(29)17-22)30-28(33)25-16-20(11-12-21(25)13-14-27(31)32)18-34-24-9-4-3-5-10-24/h3-12,16-17,19,26H,13-15,18H2,1-2H3,(H,30,33)(H,31,32)
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| InChIKey |
ZKWLYZRHRQHRJH-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