General Information of the Compound
| Compound ID |
CP0372972
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| Compound Name |
3-{2-[5-(2-Benzyloxy-phenyl)-thiophen-3-yl]-phenyl}-butyric acid
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| Structure |
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| Formula |
C27H24O3S
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| Molecular Weight |
428.553
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| Canonical SMILES |
CC(CC(O)=O)c1ccccc1-c1csc(c1)-c1ccccc1OCc1ccccc1
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| InChI |
InChI=1S/C27H24O3S/c1-19(15-27(28)29)22-11-5-6-12-23(22)21-16-26(31-18-21)24-13-7-8-14-25(24)30-17-20-9-3-2-4-10-20/h2-14,16,18-19H,15,17H2,1H3,(H,28,29)
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| InChIKey |
XBHVHPVSZSYEAH-UHFFFAOYSA-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: PT00948, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT01367, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT01534, Prostaglandin E2 receptor EP4 subtype