General Information of the Compound
| Compound ID |
CP0499518
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| Compound Name |
2-[4-[4-[(2,4-dichlorophenyl)sulfonylamino]-1,2-dimethylindol-5-yl]oxy-3-methoxyphenyl]acetic acid
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| Structure |
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| Formula |
C25H22Cl2N2O6S
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| Molecular Weight |
549.432
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| Canonical SMILES |
COc1cc(CC(O)=O)ccc1Oc1ccc2n(C)c(C)cc2c1NS(=O)(=O)c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C25H22Cl2N2O6S/c1-14-10-17-19(29(14)2)6-8-21(35-20-7-4-15(12-24(30)31)11-22(20)34-3)25(17)28-36(32,33)23-9-5-16(26)13-18(23)27/h4-11,13,28H,12H2,1-3H3,(H,30,31)
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| InChIKey |
YGYUHZBBVZHLKU-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