General Information of the Compound
| Compound ID |
CP0476523
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| Compound Name |
2-[4-[4-(butylcarbamoyl)-2-[(2,4-dichlorophenyl)sulfonylamino]phenyl]sulfanylphenyl]acetic acid
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| Structure |
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| Formula |
C25H24Cl2N2O5S2
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| Molecular Weight |
567.516
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| Canonical SMILES |
CCCCNC(=O)c1ccc(Sc2ccc(CC(O)=O)cc2)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
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| InChI |
InChI=1S/C25H24Cl2N2O5S2/c1-2-3-12-28-25(32)17-6-10-22(35-19-8-4-16(5-9-19)13-24(30)31)21(14-17)29-36(33,34)23-11-7-18(26)15-20(23)27/h4-11,14-15,29H,2-3,12-13H2,1H3,(H,28,32)(H,30,31)
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| InChIKey |
CGTNCTAAYPNSDW-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