General Information of the Compound
| Compound ID |
CP0376532
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| Compound Name |
3-(4-((1H-pyrazol-1-yl)methyl)-2-(naphthalen-1-ylmethylaminooxy)phenyl)-N-(3,4-difluorophenylsulfonyl)propanamide
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| Structure |
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| Formula |
C30H26F2N4O4S
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| Molecular Weight |
576.625
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| Canonical SMILES |
Fc1ccc(cc1F)S(=O)(=O)NC(=O)CCc1ccc(Cn2cccn2)cc1ONCc1cccc2ccccc12
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| InChI |
InChI=1S/C30H26F2N4O4S/c31-27-13-12-25(18-28(27)32)41(38,39)35-30(37)14-11-23-10-9-21(20-36-16-4-15-33-36)17-29(23)40-34-19-24-7-3-6-22-5-1-2-8-26(22)24/h1-10,12-13,15-18,34H,11,14,19-20H2,(H,35,37)
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| InChIKey |
CUVIWZMOEZNKMO-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