General Information of the Compound
| Compound ID |
CP0482357
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| Compound Name |
2-[2-[(4S)-4-[(E)-4-hydroxy-4-methylnon-1-enyl]-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid
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| Structure |
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| Formula |
C19H28N2O5S2
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| Molecular Weight |
428.576
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| Canonical SMILES |
CCCCCC(C)(O)C\C=C\[C@H]1COC(=O)N1CCSc1nc(cs1)C(O)=O
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| InChI |
InChI=1S/C19H28N2O5S2/c1-3-4-5-8-19(2,25)9-6-7-14-12-26-18(24)21(14)10-11-27-17-20-15(13-28-17)16(22)23/h6-7,13-14,25H,3-5,8-12H2,1-2H3,(H,22,23)/b7-6+/t14-,19?/m0/s1
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| InChIKey |
WSOCKOXJPAJUMP-UXKPEMIOSA-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: PT00948, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT01367, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT01534, Prostaglandin E2 receptor EP4 subtype