General Information of the Compound
| Compound ID |
CP0406179
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| Compound Name |
3-bromo-4,6-dimethylthieno[3,2-b]pyrrole-5-carboxylic acid
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| Structure |
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| Formula |
C9H8BrNO2S
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| Molecular Weight |
274.139
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| Canonical SMILES |
Cc1c(C(O)=O)n(C)c2c(Br)csc12
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| InChI |
InChI=1S/C9H8BrNO2S/c1-4-6(9(12)13)11(2)7-5(10)3-14-8(4)7/h3H,1-2H3,(H,12,13)
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| InChIKey |
DYAZHSFEBDLHMN-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