General Information of the Compound
| Compound ID |
CP0550439
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| Compound Name |
4-[(1S)-1-[[2-[(4-methoxyphenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carbonyl]amino]ethyl]benzoic acid
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| Structure |
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| Formula |
C25H25NO5S
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| Molecular Weight |
451.544
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| Canonical SMILES |
COc1ccc(Cc2sc3COCCc3c2C(=O)N[C@@H](C)c2ccc(cc2)C(O)=O)cc1
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| InChI |
InChI=1S/C25H25NO5S/c1-15(17-5-7-18(8-6-17)25(28)29)26-24(27)23-20-11-12-31-14-22(20)32-21(23)13-16-3-9-19(30-2)10-4-16/h3-10,15H,11-14H2,1-2H3,(H,26,27)(H,28,29)/t15-/m0/s1
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| InChIKey |
WHIVEJRXLVQUCK-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