General Information of the Compound
| Compound ID |
CP0439427
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| Compound Name |
7-((S)-2-((R)-3-hydroxy-4-(3-(methoxymethyl)phenyl)butyl)-5-oxopyrrolidin-1-yl)heptanoic acid
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| Structure |
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| Formula |
C23H35NO5
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| Molecular Weight |
405.535
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| Canonical SMILES |
COCc1cccc(C[C@H](O)CC[C@H]2CCC(=O)N2CCCCCCC(O)=O)c1
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| InChI |
InChI=1S/C23H35NO5/c1-29-17-19-8-6-7-18(15-19)16-21(25)12-10-20-11-13-22(26)24(20)14-5-3-2-4-9-23(27)28/h6-8,15,20-21,25H,2-5,9-14,16-17H2,1H3,(H,27,28)/t20-,21+/m0/s1
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| InChIKey |
QRTTXLQPQIUZPS-LEWJYISDSA-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