General Information of the Compound
Compound ID |
CP0469001
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Compound Name |
2-[4-[[4-[(2,4-dichlorophenyl)sulfonylamino]-2-oxo-1,3-dihydroindol-5-yl]oxy]-3-methoxyphenyl]acetic acid
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Structure |
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Formula |
C23H18Cl2N2O7S
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Molecular Weight |
537.377
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Canonical SMILES |
COc1cc(CC(O)=O)ccc1Oc1ccc2NC(=O)Cc2c1NS(=O)(=O)c1ccc(Cl)cc1Cl
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InChI |
InChI=1S/C23H18Cl2N2O7S/c1-33-19-8-12(9-22(29)30)2-5-17(19)34-18-6-4-16-14(11-21(28)26-16)23(18)27-35(31,32)20-7-3-13(24)10-15(20)25/h2-8,10,27H,9,11H2,1H3,(H,26,28)(H,29,30)
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InChIKey |
CNXYOSDMOXCMQR-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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