General Information of the Compound
| Compound ID |
CP0427380
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| Compound Name |
4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]butanoic acid
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| Structure |
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| Formula |
C16H19NO2
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| Molecular Weight |
257.333
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| Canonical SMILES |
Cc1ccc(C)n1-c1ccc(CCCC(O)=O)cc1
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| InChI |
InChI=1S/C16H19NO2/c1-12-6-7-13(2)17(12)15-10-8-14(9-11-15)4-3-5-16(18)19/h6-11H,3-5H2,1-2H3,(H,18,19)
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| InChIKey |
CJCRLXKNLWNPRJ-UHFFFAOYSA-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: PT01930, Retinoic acid receptor RXR-alpha
Protein ID: PT01474, Retinoic acid receptor RXR-beta
Protein ID: PT02769, Retinoic acid receptor RXR-gamma