General Information of the Compound
| Compound ID |
CP0375769
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| Compound Name |
3-[2-{[(1-Benzyl-3-methylbutyl)amino]carbonyl}-4-(phenoxymethyl)phenyl]propanoic acid
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| Structure |
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| Formula |
C29H33NO4
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| Molecular Weight |
459.586
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| Canonical SMILES |
CC(C)CC(Cc1ccccc1)NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O
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| InChI |
InChI=1S/C29H33NO4/c1-21(2)17-25(18-22-9-5-3-6-10-22)30-29(33)27-19-23(13-14-24(27)15-16-28(31)32)20-34-26-11-7-4-8-12-26/h3-14,19,21,25H,15-18,20H2,1-2H3,(H,30,33)(H,31,32)
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| InChIKey |
XOACQTOEVJGFFE-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
Protein ID: PT02988, Prostaglandin E2 receptor EP1 subtype
Protein ID: PT02989, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT02345, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT02346, Prostaglandin E2 receptor EP4 subtype