General Information of the Compound
| Compound ID |
CP0374363
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| Compound Name |
4-[4-(2-butoxyethoxy)-5-methyl-1,3-thiazol-2-yl]benzoic acid
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| Structure |
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| Formula |
C17H21NO4S
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| Molecular Weight |
335.425
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| Canonical SMILES |
CCCCOCCOc1nc(sc1C)-c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C17H21NO4S/c1-3-4-9-21-10-11-22-15-12(2)23-16(18-15)13-5-7-14(8-6-13)17(19)20/h5-8H,3-4,9-11H2,1-2H3,(H,19,20)
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| InChIKey |
SSPMOLOIDUBZFG-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: PT01475, Retinoic acid receptor alpha
Protein ID: PT01452, Retinoic acid receptor beta