General Information of the Compound
| Compound ID |
CP0457560
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| Compound Name |
4-(2-((R)-2-(4-methylhexa-1,3-dienyl)-5-oxopyrrolidin-1-yl)ethyl)benzoic acid
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| Structure |
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| Formula |
C20H25NO3
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| Molecular Weight |
327.424
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| Canonical SMILES |
CC\C(C)=C/C=C/[C@H]1CCC(=O)N1CCc1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C20H25NO3/c1-3-15(2)5-4-6-18-11-12-19(22)21(18)14-13-16-7-9-17(10-8-16)20(23)24/h4-10,18H,3,11-14H2,1-2H3,(H,23,24)/b6-4+,15-5-/t18-/m0/s1
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| InChIKey |
AZIZGTFREXFXEG-LMYCACMUSA-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: PT00948, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT01534, Prostaglandin E2 receptor EP4 subtype