General Information of the Compound
| Compound ID |
CP0148841
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| Compound Name |
2-(Benzothiazol-2-ylsulfanyl)-1-(3,4-dihydroxy-phenyl)-ethanone
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| Structure |
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| Formula |
C15H11NO3S2
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| Molecular Weight |
317.391
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| Canonical SMILES |
Oc1ccc(cc1O)C(=O)CSc1nc2ccccc2s1
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| InChI |
InChI=1S/C15H11NO3S2/c17-11-6-5-9(7-12(11)18)13(19)8-20-15-16-10-3-1-2-4-14(10)21-15/h1-7,17-18H,8H2
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| InChIKey |
DBTRBCTYKUZFNI-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