General Information of the Compound
| Compound ID |
CP0081562
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| Compound Name |
2-{[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]sulfanyl}acetic acid
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| Structure |
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| Formula |
C14H15NO2S
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| Molecular Weight |
261.346
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| Canonical SMILES |
Cc1ccc(C)n1-c1ccc(SCC(O)=O)cc1
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| InChI |
InChI=1S/C14H15NO2S/c1-10-3-4-11(2)15(10)12-5-7-13(8-6-12)18-9-14(16)17/h3-8H,9H2,1-2H3,(H,16,17)
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| InChIKey |
DASVXRJADIYRNJ-UHFFFAOYSA-N
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| CAS |
131817-93-1
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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: PT01930, Retinoic acid receptor RXR-alpha
Protein ID: PT01474, Retinoic acid receptor RXR-beta