General Information of the Compound
| Compound ID |
CP0390480
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| Compound Name |
N-[4-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]but-3-yn-2-yl]acetamide
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| Structure |
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| Formula |
C21H18N2O3S
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| Molecular Weight |
378.453
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| Canonical SMILES |
CC(NC(C)=O)C#Cc1cnc(Oc2ccc(Oc3ccccc3)cc2)s1
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| InChI |
InChI=1S/C21H18N2O3S/c1-15(23-16(2)24)8-13-20-14-22-21(27-20)26-19-11-9-18(10-12-19)25-17-6-4-3-5-7-17/h3-7,9-12,14-15H,1-2H3,(H,23,24)
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| InChIKey |
YXGGOPZGTQGTIL-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