General Information of the Compound
| Compound ID |
CP0378130
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| Compound Name |
2-[2-[(2R)-2-[(E,3S)-3-hydroxy-4-[3-(4-methylphenyl)phenyl]but-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid
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| Structure |
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| Formula |
C27H28N2O4S2
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| Molecular Weight |
508.665
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| Canonical SMILES |
Cc1ccc(cc1)-c1cccc(C[C@H](O)\C=C\[C@H]2CCC(=O)N2CCSc2nc(cs2)C(O)=O)c1
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| InChI |
InChI=1S/C27H28N2O4S2/c1-18-5-7-20(8-6-18)21-4-2-3-19(15-21)16-23(30)11-9-22-10-12-25(31)29(22)13-14-34-27-28-24(17-35-27)26(32)33/h2-9,11,15,17,22-23,30H,10,12-14,16H2,1H3,(H,32,33)/b11-9+/t22-,23+/m0/s1
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| InChIKey |
PJFILWNETZMJRD-RBJONROZSA-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: PT05828, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT02989, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT02345, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT04548, Prostaglandin E2 receptor EP4 subtype
Protein ID: PT02346, Prostaglandin E2 receptor EP4 subtype