General Information of the Compound
| Compound ID |
CP0390115
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| Compound Name |
N-(3,4-difluorophenyl)sulfonyl-3-[4-[(dimethylamino)methyl]-2-(2-naphthalen-2-ylethoxy)phenyl]propanamide
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| Structure |
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| Formula |
C30H30F2N2O4S
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| Molecular Weight |
552.643
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| Canonical SMILES |
CN(C)Cc1ccc(CCC(=O)NS(=O)(=O)c2ccc(F)c(F)c2)c(OCCc2ccc3ccccc3c2)c1
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| InChI |
InChI=1S/C30H30F2N2O4S/c1-34(2)20-22-8-10-24(11-14-30(35)33-39(36,37)26-12-13-27(31)28(32)19-26)29(18-22)38-16-15-21-7-9-23-5-3-4-6-25(23)17-21/h3-10,12-13,17-19H,11,14-16,20H2,1-2H3,(H,33,35)
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| InChIKey |
XFEQJTJHYVKTOT-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