General Information of the Compound
| Compound ID |
CP0868537
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| Compound Name |
4-[4-(Heptyloxy)-5-methyl-1,3-thiazol-2-yl]benzoic acid
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| Structure |
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| Formula |
C18H23NO3S
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| Molecular Weight |
333.453
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| Canonical SMILES |
CCCCCCCOc1nc(-c2ccc(C(=O)O)cc2)sc1C
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| InChI |
InChI=1S/C18H23NO3S/c1-3-4-5-6-7-12-22-16-13(2)23-17(19-16)14-8-10-15(11-9-14)18(20)21/h8-11H,3-7,12H2,1-2H3,(H,20,21)
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| InChIKey |
WPFLWZFRGPNNIV-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