General Information of the Compound
| Compound ID |
CP0394820
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| Compound Name |
9-methyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4-carboxylic acid
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| Structure |
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| Formula |
C10H6O2S3
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| Molecular Weight |
254.357
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| Canonical SMILES |
Cc1csc2c1sc1cc(sc21)C(O)=O
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| InChI |
InChI=1S/C10H6O2S3/c1-4-3-13-9-7(4)14-5-2-6(10(11)12)15-8(5)9/h2-3H,1H3,(H,11,12)
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| InChIKey |
RMXAUUNISHIARO-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