General Information of the Compound
| Compound ID |
CP0403549
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| Compound Name |
2-[5-[4-(butylcarbamoyl)-2-[(2,4-dichlorophenyl)sulfonylamino]phenoxy]indol-1-yl]acetic acid
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| Structure |
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| Formula |
C27H25Cl2N3O6S
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| Molecular Weight |
590.485
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| Canonical SMILES |
CCCCNC(=O)c1ccc(Oc2ccc3n(CC(O)=O)ccc3c2)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
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| InChI |
InChI=1S/C27H25Cl2N3O6S/c1-2-3-11-30-27(35)18-4-8-24(22(14-18)31-39(36,37)25-9-5-19(28)15-21(25)29)38-20-6-7-23-17(13-20)10-12-32(23)16-26(33)34/h4-10,12-15,31H,2-3,11,16H2,1H3,(H,30,35)(H,33,34)
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| InChIKey |
WPAOLAILIROHNR-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