General Information of the Compound
| Compound ID |
CP0444736
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| Compound Name |
3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4,10-dicarboxylic acid
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| Structure |
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| Formula |
C10H4O4S3
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| Molecular Weight |
284.339
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| Canonical SMILES |
OC(=O)c1cc2sc3cc(sc3c2s1)C(O)=O
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| InChI |
InChI=1S/C10H4O4S3/c11-9(12)5-1-3-7(16-5)8-4(15-3)2-6(17-8)10(13)14/h1-2H,(H,11,12)(H,13,14)
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| InChIKey |
XQMFYBSHBCPMBJ-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