General Information of the Compound
| Compound ID |
CP0499513
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| Compound Name |
2-[4-[[3-chloro-4-[(2,4-dichlorophenyl)sulfonylamino]-2-methyl-1H-indol-5-yl]oxy]-3-methoxyphenyl]acetic acid
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| Structure |
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| Formula |
C24H19Cl3N2O6S
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| Molecular Weight |
569.85
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| Canonical SMILES |
COc1cc(CC(O)=O)ccc1Oc1ccc2[nH]c(C)c(Cl)c2c1NS(=O)(=O)c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C24H19Cl3N2O6S/c1-12-23(27)22-16(28-12)5-7-18(35-17-6-3-13(10-21(30)31)9-19(17)34-2)24(22)29-36(32,33)20-8-4-14(25)11-15(20)26/h3-9,11,28-29H,10H2,1-2H3,(H,30,31)
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| InChIKey |
MNADVAWMBIHWMB-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