General Information of the Compound
| Compound ID |
CP0403516
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| Compound Name |
N-butyl-3-[(2,4-dichlorophenyl)sulfonylamino]-4-[4-[2-(methanesulfonamido)-2-oxoethyl]-2-methoxyphenoxy]benzamide
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| Structure |
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| Formula |
C27H29Cl2N3O8S2
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| Molecular Weight |
658.582
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| Canonical SMILES |
CCCCNC(=O)c1ccc(Oc2ccc(CC(=O)NS(C)(=O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
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| InChI |
InChI=1S/C27H29Cl2N3O8S2/c1-4-5-12-30-27(34)18-7-10-22(21(15-18)31-42(37,38)25-11-8-19(28)16-20(25)29)40-23-9-6-17(13-24(23)39-2)14-26(33)32-41(3,35)36/h6-11,13,15-16,31H,4-5,12,14H2,1-3H3,(H,30,34)(H,32,33)
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| InChIKey |
MIJOAEWQWPELLO-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: PT01054, Prostaglandin D2 receptor
Protein ID: PT01171, Prostaglandin D2 receptor 2