General Information of the Compound
| Compound ID |
CP0445547
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| Compound Name |
5-{3-[(S)-2-(4-biphenyl-2-yl-3-hydroxy-butyl)-5-oxo-pyrrolidin-1-yl]-propyl}-thiophene-2-carboxylic acid
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| Structure |
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| Formula |
C28H31NO4S
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| Molecular Weight |
477.626
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| Canonical SMILES |
OC(CC[C@H]1CCC(=O)N1CCCc1ccc(s1)C(O)=O)Cc1ccccc1-c1ccccc1
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| InChI |
InChI=1S/C28H31NO4S/c30-23(19-21-9-4-5-11-25(21)20-7-2-1-3-8-20)14-12-22-13-17-27(31)29(22)18-6-10-24-15-16-26(34-24)28(32)33/h1-5,7-9,11,15-16,22-23,30H,6,10,12-14,17-19H2,(H,32,33)/t22-,23?/m0/s1
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| InChIKey |
PJXYETJBFXBRRJ-NQCNTLBGSA-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