General Information of the Compound
| Compound ID |
CP0440872
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| Compound Name |
2-[4-[[4-[(2,4-dichlorophenyl)sulfonylamino]-2-(2-methylpropyl)-1H-indol-5-yl]oxy]-3-methoxyphenyl]acetic acid
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| Structure |
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| Formula |
C27H26Cl2N2O6S
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| Molecular Weight |
577.486
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| Canonical SMILES |
COc1cc(CC(O)=O)ccc1Oc1ccc2[nH]c(CC(C)C)cc2c1NS(=O)(=O)c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C27H26Cl2N2O6S/c1-15(2)10-18-14-19-21(30-18)6-8-23(37-22-7-4-16(12-26(32)33)11-24(22)36-3)27(19)31-38(34,35)25-9-5-17(28)13-20(25)29/h4-9,11,13-15,30-31H,10,12H2,1-3H3,(H,32,33)
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| InChIKey |
IMGRPMCGQQLJQW-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