General Information of the Compound
| Compound ID |
CP0423259
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| Compound Name |
4-[4-[2-(hexylamino)-2-oxoethoxy]-5-methyl-1,3-thiazol-2-yl]benzoic acid
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| Structure |
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| Formula |
C19H24N2O4S
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| Molecular Weight |
376.478
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| Canonical SMILES |
CCCCCCNC(=O)COc1nc(sc1C)-c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C19H24N2O4S/c1-3-4-5-6-11-20-16(22)12-25-17-13(2)26-18(21-17)14-7-9-15(10-8-14)19(23)24/h7-10H,3-6,11-12H2,1-2H3,(H,20,22)(H,23,24)
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| InChIKey |
BUVAUYANRKGVEO-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: PT01452, Retinoic acid receptor beta
Protein ID: PT01806, Retinoic acid receptor gamma