General Information of the Compound
| Compound ID |
CP0415001
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| Compound Name |
2-(4-(2-(2,4-dichlorophenylsulfonamido)-4-(isobutylcarbamoyl)phenoxy)-3-methoxyphenyl)acetic acid
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| Structure |
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| Formula |
C26H26Cl2N2O7S
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| Molecular Weight |
581.474
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| Canonical SMILES |
COc1cc(CC(O)=O)ccc1Oc1ccc(cc1NS(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)NCC(C)C
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| InChI |
InChI=1S/C26H26Cl2N2O7S/c1-15(2)14-29-26(33)17-5-8-21(37-22-7-4-16(11-25(31)32)10-23(22)36-3)20(12-17)30-38(34,35)24-9-6-18(27)13-19(24)28/h4-10,12-13,15,30H,11,14H2,1-3H3,(H,29,33)(H,31,32)
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| InChIKey |
XYKYMHFXRVVCDR-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