General Information of the Compound
| Compound ID |
CP0209434
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| Compound Name |
3-acetamido-5-[2-[5-bromo-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]benzoic acid
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| Structure |
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| Formula |
C27H21BrF2N2O4
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| Molecular Weight |
555.375
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| Canonical SMILES |
CC(=O)Nc1cc(cc(c1)-n1c(C)ccc1-c1cc(Br)ccc1OCc1ccc(F)cc1F)C(O)=O
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| InChI |
InChI=1S/C27H21BrF2N2O4/c1-15-3-7-25(32(15)22-10-18(27(34)35)9-21(13-22)31-16(2)33)23-11-19(28)5-8-26(23)36-14-17-4-6-20(29)12-24(17)30/h3-13H,14H2,1-2H3,(H,31,33)(H,34,35)
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| InChIKey |
YWMJHCFRFHOSCO-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: PT01367, Prostaglandin E2 receptor EP3 subtype