General Information of the Compound
| Compound ID |
CP0399061
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| Compound Name |
1-[4-[4-(butylcarbamoyl)-2-[(2,4-dichlorophenyl)sulfonylamino]phenoxy]-3-methoxyphenyl]cyclopentane-1-carboxylic acid
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| Structure |
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| Formula |
C30H32Cl2N2O7S
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| Molecular Weight |
635.566
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| Canonical SMILES |
CCCCNC(=O)c1ccc(Oc2ccc(cc2OC)C2(CCCC2)C(O)=O)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
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| InChI |
InChI=1S/C30H32Cl2N2O7S/c1-3-4-15-33-28(35)19-7-10-24(23(16-19)34-42(38,39)27-12-9-21(31)18-22(27)32)41-25-11-8-20(17-26(25)40-2)30(29(36)37)13-5-6-14-30/h7-12,16-18,34H,3-6,13-15H2,1-2H3,(H,33,35)(H,36,37)
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| InChIKey |
MTOSOHXMCDMPRR-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