General Information of the Compound
Compound ID |
CP0494187
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Compound Name |
3-[2-[({3-Methyl-1-[4-(trifluoromethyl)phenyl]butyl}-amino)carbonyl]-4-(phenoxymethyl)phenyl]propanoic acid
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Structure |
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Formula |
C29H30F3NO4
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Molecular Weight |
513.556
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Canonical SMILES |
CC(C)CC(NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O)c1ccc(cc1)C(F)(F)F
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InChI |
InChI=1S/C29H30F3NO4/c1-19(2)16-26(22-10-13-23(14-11-22)29(30,31)32)33-28(36)25-17-20(8-9-21(25)12-15-27(34)35)18-37-24-6-4-3-5-7-24/h3-11,13-14,17,19,26H,12,15-16,18H2,1-2H3,(H,33,36)(H,34,35)
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InChIKey |
PUGHDSORZNLDBF-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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