General Information of the Compound
| Compound ID |
CP0113519
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| Compound Name |
N-(4-phenyl-1,3-thiazol-2-yl)-7-sulfanylheptanamide
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| Synonyms |
7-mercapto-N-(4-phenyl-2-thiazolyl)heptanamide
7-mercapto-N-(4-phenylthiazol-2-yl)heptanamide
BDBM19131
CHEMBL419758
JMC505425 Compound 7
N-(4-phenyl-1,3-thiazol-2-yl)-7-sulfanylheptanamide
NCH-31
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| Structure |
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| Formula |
C16H20N2OS2
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| Molecular Weight |
320.483
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| Canonical SMILES |
SCCCCCCC(=O)Nc1nc(cs1)-c1ccccc1
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| InChI |
InChI=1S/C16H20N2OS2/c19-15(10-6-1-2-7-11-20)18-16-17-14(12-21-16)13-8-4-3-5-9-13/h3-5,8-9,12,20H,1-2,6-7,10-11H2,(H,17,18,19)
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| InChIKey |
LUXAHBUKMVESIS-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