General Information of the Compound
| Compound ID |
CP0425414
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| Compound Name |
4,6-dibromo-5-hydroxy-3-methyl-1-benzothiophene-2-carboxylic acid
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| Structure |
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| Formula |
C10H6Br2O3S
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| Molecular Weight |
366.03
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| Canonical SMILES |
Cc1c(sc2cc(Br)c(O)c(Br)c12)C(O)=O
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| InChI |
InChI=1S/C10H6Br2O3S/c1-3-6-5(16-9(3)10(14)15)2-4(11)8(13)7(6)12/h2,13H,1H3,(H,14,15)
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| InChIKey |
UFLZBPZSKYZRRI-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