General Information of the Compound
| Compound ID |
CP0401106
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| Compound Name |
4-[2-[(4S)-4-[(E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]butanoic acid
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| Structure |
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| Formula |
C21H29NO6S
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| Molecular Weight |
423.531
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| Canonical SMILES |
COCc1cccc(C[C@H](O)\C=C\[C@H]2COC(=O)N2CCSCCCC(O)=O)c1
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| InChI |
InChI=1S/C21H29NO6S/c1-27-14-17-5-2-4-16(12-17)13-19(23)8-7-18-15-28-21(26)22(18)9-11-29-10-3-6-20(24)25/h2,4-5,7-8,12,18-19,23H,3,6,9-11,13-15H2,1H3,(H,24,25)/b8-7+/t18-,19+/m0/s1
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| InChIKey |
ADSFRWQOVWVKOK-YZPMEYCISA-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: PT02988, Prostaglandin E2 receptor EP1 subtype
Protein ID: PT02989, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT02345, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT04548, Prostaglandin E2 receptor EP4 subtype
Protein ID: PT02346, Prostaglandin E2 receptor EP4 subtype