General Information of the Compound
| Compound ID |
CP0392891
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| Compound Name |
2-[2-[(2R)-2-[(E,3S)-3-hydroxy-4-(5-methylfuran-2-yl)but-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid
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| Structure |
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| Formula |
C19H22N2O5S2
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| Molecular Weight |
422.528
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| Canonical SMILES |
Cc1ccc(C[C@H](O)\C=C\[C@H]2CCC(=O)N2CCSc2nc(cs2)C(O)=O)o1
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| InChI |
InChI=1S/C19H22N2O5S2/c1-12-2-6-15(26-12)10-14(22)5-3-13-4-7-17(23)21(13)8-9-27-19-20-16(11-28-19)18(24)25/h2-3,5-6,11,13-14,22H,4,7-10H2,1H3,(H,24,25)/b5-3+/t13-,14+/m0/s1
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| InChIKey |
WEDKOJTTZUJUBS-SVDKCWMDSA-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