General Information of the Compound
| Compound ID |
CP0466746
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| Compound Name |
2-[2-[5-(2-phenylmethoxyphenyl)thiophen-3-yl]anilino]acetic acid
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| Structure |
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| Formula |
C25H21NO3S
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| Molecular Weight |
415.514
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| Canonical SMILES |
OC(=O)CNc1ccccc1-c1csc(c1)-c1ccccc1OCc1ccccc1
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| InChI |
InChI=1S/C25H21NO3S/c27-25(28)15-26-22-12-6-4-10-20(22)19-14-24(30-17-19)21-11-5-7-13-23(21)29-16-18-8-2-1-3-9-18/h1-14,17,26H,15-16H2,(H,27,28)
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| InChIKey |
SBHIZPSBNTTYFV-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