General Information of the Compound
| Compound ID |
CP0438238
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| Compound Name |
4-[2-[(2R)-2-[(E,3S)-4-(3-chlorophenyl)-3-hydroxybut-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]butanoic acid
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| Structure |
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| Formula |
C20H26ClNO4S
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| Molecular Weight |
411.951
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| Canonical SMILES |
O[C@@H](Cc1cccc(Cl)c1)\C=C\[C@H]1CCC(=O)N1CCSCCCC(O)=O
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| InChI |
InChI=1S/C20H26ClNO4S/c21-16-4-1-3-15(13-16)14-18(23)8-6-17-7-9-19(24)22(17)10-12-27-11-2-5-20(25)26/h1,3-4,6,8,13,17-18,23H,2,5,7,9-12,14H2,(H,25,26)/b8-6+/t17-,18+/m0/s1
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| InChIKey |
ZEQIDWZOBUPIGE-JFDVKVQISA-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: PT02988, Prostaglandin E2 receptor EP1 subtype
Protein ID: PT02989, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT02345, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT02346, Prostaglandin E2 receptor EP4 subtype