General Information of the Compound
| Compound ID |
CP0430730
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| Compound Name |
3-(4-((3-cyanophenoxy)methyl)-2-(2-(naphthalen-2-yl)ethoxy)phenyl)-N-(3,4-difluorophenylsulfonyl)propanamide
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| Structure |
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| Formula |
C35H28F2N2O5S
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| Molecular Weight |
626.681
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| Canonical SMILES |
Fc1ccc(cc1F)S(=O)(=O)NC(=O)CCc1ccc(COc2cccc(c2)C#N)cc1OCCc1ccc2ccccc2c1
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| InChI |
InChI=1S/C35H28F2N2O5S/c36-32-14-13-31(21-33(32)37)45(41,42)39-35(40)15-12-28-11-9-26(23-44-30-7-3-4-25(19-30)22-38)20-34(28)43-17-16-24-8-10-27-5-1-2-6-29(27)18-24/h1-11,13-14,18-21H,12,15-17,23H2,(H,39,40)
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| InChIKey |
WLWLJPIELFZZBY-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