General Information of the Compound
| Compound ID |
CP0117461
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| Compound Name |
US8614253, 31-1
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| Structure |
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| Formula |
C18H14O4S
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| Molecular Weight |
326.373
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| Canonical SMILES |
CCOC(=O)c1ccc(s1)-c1ccc2c(C=O)c(O)ccc2c1
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| InChI |
InChI=1S/C18H14O4S/c1-2-22-18(21)17-8-7-16(23-17)12-3-5-13-11(9-12)4-6-15(20)14(13)10-19/h3-10,20H,2H2,1H3
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| InChIKey |
OVMSLXCDVVLIPE-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