General Information of the Compound
| Compound ID |
CP0419026
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| Compound Name |
2-[3-[2-[(2R)-2-[(E,3S)-4-(3-chlorophenyl)-3-hydroxybut-1-enyl]-5-oxopyrrolidin-1-yl]ethyl]phenyl]acetic acid
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| Structure |
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| Formula |
C24H26ClNO4
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| Molecular Weight |
427.928
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| Canonical SMILES |
O[C@@H](Cc1cccc(Cl)c1)\C=C\[C@H]1CCC(=O)N1CCc1cccc(CC(O)=O)c1
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| InChI |
InChI=1S/C24H26ClNO4/c25-20-6-2-5-19(14-20)15-22(27)9-7-21-8-10-23(28)26(21)12-11-17-3-1-4-18(13-17)16-24(29)30/h1-7,9,13-14,21-22,27H,8,10-12,15-16H2,(H,29,30)/b9-7+/t21-,22+/m0/s1
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| InChIKey |
UWSCJMNTBCHLKW-ORMBLBCUSA-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