General Information of the Compound
| Compound ID |
CP0469000
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| Compound Name |
2-[4-[[2-cyclopropyl-4-[(2,4-dichlorophenyl)sulfonylamino]-1H-indol-5-yl]oxy]-3-methoxyphenyl]acetic acid
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| Structure |
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| Formula |
C26H22Cl2N2O6S
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| Molecular Weight |
561.443
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| Canonical SMILES |
COc1cc(CC(O)=O)ccc1Oc1ccc2[nH]c(cc2c1NS(=O)(=O)c1ccc(Cl)cc1Cl)C1CC1
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| InChI |
InChI=1S/C26H22Cl2N2O6S/c1-35-23-10-14(11-25(31)32)2-7-21(23)36-22-8-6-19-17(13-20(29-19)15-3-4-15)26(22)30-37(33,34)24-9-5-16(27)12-18(24)28/h2,5-10,12-13,15,29-30H,3-4,11H2,1H3,(H,31,32)
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| InChIKey |
IWIQCOQSIIZLAR-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