General Information of the Compound
| Compound ID |
CP0399189
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| Compound Name |
2-[4-[2-[(2,4-dichlorophenyl)sulfonylamino]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]-3-methoxyphenyl]acetic acid
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| Structure |
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| Formula |
C25H21Cl2N3O7S
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| Molecular Weight |
578.43
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| Canonical SMILES |
CCc1noc(n1)-c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
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| InChI |
InChI=1S/C25H21Cl2N3O7S/c1-3-23-28-25(37-29-23)15-5-8-19(36-20-7-4-14(11-24(31)32)10-21(20)35-2)18(12-15)30-38(33,34)22-9-6-16(26)13-17(22)27/h4-10,12-13,30H,3,11H2,1-2H3,(H,31,32)
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| InChIKey |
SNDGAMZKEZTUNG-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