General Information of the Compound
| Compound ID |
CP0536729
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| Compound Name |
4-[4-(hydroxymethyl)phenoxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide
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| Structure |
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| Formula |
C15H18N2O3S
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| Molecular Weight |
306.387
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| Canonical SMILES |
Cc1cnc(NC(=O)CCCOc2ccc(CO)cc2)s1
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| InChI |
InChI=1S/C15H18N2O3S/c1-11-9-16-15(21-11)17-14(19)3-2-8-20-13-6-4-12(10-18)5-7-13/h4-7,9,18H,2-3,8,10H2,1H3,(H,16,17,19)
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| InChIKey |
KHQUOOYFOSJPFQ-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