General Information of the Compound
| Compound ID |
CP0430637
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| Compound Name |
3-(4-((1H-pyrazol-1-yl)methyl)-2-(2-phenoxyethoxy)phenyl)-N-(3,4-difluorophenylsulfonyl)propanamide
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| Structure |
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| Formula |
C27H25F2N3O5S
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| Molecular Weight |
541.576
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| Canonical SMILES |
Fc1ccc(cc1F)S(=O)(=O)NC(=O)CCc1ccc(Cn2cccn2)cc1OCCOc1ccccc1
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| InChI |
InChI=1S/C27H25F2N3O5S/c28-24-11-10-23(18-25(24)29)38(34,35)31-27(33)12-9-21-8-7-20(19-32-14-4-13-30-32)17-26(21)37-16-15-36-22-5-2-1-3-6-22/h1-8,10-11,13-14,17-18H,9,12,15-16,19H2,(H,31,33)
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| InChIKey |
OMDGJDQUQYVXBQ-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