General Information of the Compound
| Compound ID |
CP0381730
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| Compound Name |
3-(3-((N-(4-tert-butylbenzyl)-4-chlorophenylsulfonamido)methyl)phenyl)propanoic acid
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| Structure |
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| Formula |
C27H30ClNO4S
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| Molecular Weight |
500.06
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| Canonical SMILES |
CC(C)(C)c1ccc(CN(Cc2cccc(CCC(O)=O)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C27H30ClNO4S/c1-27(2,3)23-10-7-21(8-11-23)18-29(34(32,33)25-14-12-24(28)13-15-25)19-22-6-4-5-20(17-22)9-16-26(30)31/h4-8,10-15,17H,9,16,18-19H2,1-3H3,(H,30,31)
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| InChIKey |
UETFHNPJUUNGJW-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: PT05828, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT04548, Prostaglandin E2 receptor EP4 subtype