General Information of the Compound
| Compound ID |
CP0847233
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| Compound Name |
3-{(R)-1-[4-(1-Hydroxy-hexyl)-phenyl]-5-oxo-pyrrolidin-2-ylmethoxymethyl}-benzoic acid
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| Structure |
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| Formula |
C25H31NO5
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| Molecular Weight |
425.525
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| Canonical SMILES |
CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2cccc(C(=O)O)c2)cc1
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| InChI |
InChI=1S/C25H31NO5/c1-2-3-4-8-23(27)19-9-11-21(12-10-19)26-22(13-14-24(26)28)17-31-16-18-6-5-7-20(15-18)25(29)30/h5-7,9-12,15,22-23,27H,2-4,8,13-14,16-17H2,1H3,(H,29,30)/t22-,23?/m1/s1
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| InChIKey |
MVXIIKRUEDTRBN-WTQRLHSKSA-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