General Information of the Compound
| Compound ID |
CP0192386
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| Compound Name |
(2,5-diphenyl-1,3-thiazol-4-yl) hexanoate
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| Synonyms |
BDBM50012391
CHEMBL67589
Hexanoic acid 2,5-diphenyl-4-thiazolyl ester
Hexanoic acid 2,5-diphenyl-thiazol-4-yl ester
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| Structure |
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| Formula |
C21H21NO2S
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| Molecular Weight |
351.471
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| Canonical SMILES |
CCCCCC(=O)Oc1nc(sc1-c1ccccc1)-c1ccccc1
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| InChI |
InChI=1S/C21H21NO2S/c1-2-3-6-15-18(23)24-20-19(16-11-7-4-8-12-16)25-21(22-20)17-13-9-5-10-14-17/h4-5,7-14H,2-3,6,15H2,1H3
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| InChIKey |
HQKAVFKKTZEFLJ-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
Clinical Information about the Compound