General Information of the Compound
| Compound ID |
CP0114448
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| Compound Name |
US8614253, 26-9
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| Structure |
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| Formula |
C14H12O4S
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| Molecular Weight |
276.313
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| Canonical SMILES |
COc1cc(cc(C=O)c1O)-c1ccc(s1)C(C)=O
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| InChI |
InChI=1S/C14H12O4S/c1-8(16)12-3-4-13(19-12)9-5-10(7-15)14(17)11(6-9)18-2/h3-7,17H,1-2H3
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| InChIKey |
RMXHEBAUEAQDLH-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