General Information of the Compound
| Compound ID |
CP0240985
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| Compound Name |
US8614253, 26-7
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| Structure |
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| Formula |
C13H12O3S
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| Molecular Weight |
248.303
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| Canonical SMILES |
COc1cc(cc(C=O)c1O)-c1ccc(C)s1
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| InChI |
InChI=1S/C13H12O3S/c1-8-3-4-12(17-8)9-5-10(7-14)13(15)11(6-9)16-2/h3-7,15H,1-2H3
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| InChIKey |
MSVPDYYUKAKQHT-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