General Information of the Compound
| Compound ID |
CP0387601
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| Compound Name |
2-[3-[[(2R)-2-[(E,3S)-3-hydroxy-4-(3-methylphenyl)but-1-enyl]-5-oxopyrrolidin-1-yl]methyl]phenyl]acetic acid
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| Structure |
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| Formula |
C24H27NO4
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| Molecular Weight |
393.483
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| Canonical SMILES |
Cc1cccc(C[C@H](O)\C=C\[C@H]2CCC(=O)N2Cc2cccc(CC(O)=O)c2)c1
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| InChI |
InChI=1S/C24H27NO4/c1-17-4-2-5-18(12-17)14-22(26)10-8-21-9-11-23(27)25(21)16-20-7-3-6-19(13-20)15-24(28)29/h2-8,10,12-13,21-22,26H,9,11,14-16H2,1H3,(H,28,29)/b10-8+/t21-,22+/m0/s1
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| InChIKey |
PLTQLAIXNAHXJI-PCBIHFGQSA-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