General Information of the Compound
| Compound ID |
CP0576837
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| Compound Name |
4-[(1S)-1-[[2-[2-(4-fluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonyl]amino]ethyl]benzoic acid
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| Structure |
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| Formula |
C25H24FNO3S
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| Molecular Weight |
437.536
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| Canonical SMILES |
C[C@H](NC(=O)c1c(CCc2ccc(F)cc2)sc2CCCc12)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C25H24FNO3S/c1-15(17-8-10-18(11-9-17)25(29)30)27-24(28)23-20-3-2-4-21(20)31-22(23)14-7-16-5-12-19(26)13-6-16/h5-6,8-13,15H,2-4,7,14H2,1H3,(H,27,28)(H,29,30)/t15-/m0/s1
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| InChIKey |
UFWXTNXFYIFXLF-HNNXBMFYSA-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
Protein ID: PT02346, Prostaglandin E2 receptor EP4 subtype