General Information of the Compound
| Compound ID |
CP0387600
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| Compound Name |
3-[3-[(2R)-2-[(E,3S)-4-(3-chlorophenyl)-3-hydroxybut-1-enyl]-5-oxopyrrolidin-1-yl]phenyl]propanoic acid
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| Structure |
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| Formula |
C23H24ClNO4
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| Molecular Weight |
413.901
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| Canonical SMILES |
O[C@@H](Cc1cccc(Cl)c1)\C=C\[C@H]1CCC(=O)N1c1cccc(CCC(O)=O)c1
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| InChI |
InChI=1S/C23H24ClNO4/c24-18-5-1-4-17(13-18)15-21(26)10-8-19-9-11-22(27)25(19)20-6-2-3-16(14-20)7-12-23(28)29/h1-6,8,10,13-14,19,21,26H,7,9,11-12,15H2,(H,28,29)/b10-8+/t19-,21+/m0/s1
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| InChIKey |
XUWVCPYSUSCWLU-YVRUHCSNSA-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