General Information of the Compound
| Compound ID |
CP0447742
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| Compound Name |
3-(4-((1H-pyrazol-1-yl)methyl)-2-(2-(naphthalen-2-yl)ethoxy)phenyl)-N-(3,4-difluorophenylsulfonyl)propanamide
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| Structure |
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| Formula |
C31H27F2N3O4S
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| Molecular Weight |
575.637
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| Canonical SMILES |
Fc1ccc(cc1F)S(=O)(=O)NC(=O)CCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1
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| InChI |
InChI=1S/C31H27F2N3O4S/c32-28-12-11-27(20-29(28)33)41(38,39)35-31(37)13-10-25-9-7-23(21-36-16-3-15-34-36)19-30(25)40-17-14-22-6-8-24-4-1-2-5-26(24)18-22/h1-9,11-12,15-16,18-20H,10,13-14,17,21H2,(H,35,37)
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| InChIKey |
CBYYDCDFSINGQQ-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