General Information of the Compound
| Compound ID |
CP0117556
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| Compound Name |
US8614253, 41-4
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| Structure |
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| Formula |
C12H11NO4S
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| Molecular Weight |
265.29
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| Canonical SMILES |
COc1ncc(s1)-c1cc(OC)c(O)c(C=O)c1
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| InChI |
InChI=1S/C12H11NO4S/c1-16-9-4-7(3-8(6-14)11(9)15)10-5-13-12(17-2)18-10/h3-6,15H,1-2H3
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| InChIKey |
BNBRGNGOBBDZQO-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