General Information of the Compound
| Compound ID |
CP0442359
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| Compound Name |
7-((S)-2-(3-hydroxy-4-(3-phenoxyphenyl)butyl)-5-oxopyrrolidin-1-yl)heptanoic acid
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| Structure |
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| Formula |
C27H35NO5
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| Molecular Weight |
453.579
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| Canonical SMILES |
OC(CC[C@H]1CCC(=O)N1CCCCCCC(O)=O)Cc1cccc(Oc2ccccc2)c1
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| InChI |
InChI=1S/C27H35NO5/c29-23(19-21-9-8-12-25(20-21)33-24-10-4-3-5-11-24)16-14-22-15-17-26(30)28(22)18-7-2-1-6-13-27(31)32/h3-5,8-12,20,22-23,29H,1-2,6-7,13-19H2,(H,31,32)/t22-,23?/m0/s1
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| InChIKey |
CRNNORZZZWLJSM-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: PT01205, Prostaglandin E2 receptor EP1 subtype
Protein ID: PT05828, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT01367, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT04548, Prostaglandin E2 receptor EP4 subtype