General Information of the Compound
| Compound ID |
CP0390196
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| Compound Name |
3-(4-(Phenoxymethyl)-2-{[(2-phenylethyl)amino]carbonyl}phenyl)propanoic acid
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| Structure |
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| Formula |
C25H25NO4
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| Molecular Weight |
403.478
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| Canonical SMILES |
OC(=O)CCc1ccc(COc2ccccc2)cc1C(=O)NCCc1ccccc1
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| InChI |
InChI=1S/C25H25NO4/c27-24(28)14-13-21-12-11-20(18-30-22-9-5-2-6-10-22)17-23(21)25(29)26-16-15-19-7-3-1-4-8-19/h1-12,17H,13-16,18H2,(H,26,29)(H,27,28)
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| InChIKey |
BZUNQYCTNHWATL-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