General Information of the Compound
| Compound ID |
CP0457558
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| Compound Name |
4-[2-[(2R)-2-[(1Z,3E)-3-methylocta-1,3-dienyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid
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| Structure |
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| Formula |
C22H29NO3
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| Molecular Weight |
355.478
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| Canonical SMILES |
CCCC\C=C(/C)\C=C/[C@H]1CCC(=O)N1CCc1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C22H29NO3/c1-3-4-5-6-17(2)7-12-20-13-14-21(24)23(20)16-15-18-8-10-19(11-9-18)22(25)26/h6-12,20H,3-5,13-16H2,1-2H3,(H,25,26)/b12-7-,17-6+/t20-/m0/s1
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| InChIKey |
RWAYWKZUQOPYIW-KHQKICGGSA-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