General Information of the Compound
| Compound ID |
CP0117559
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| Compound Name |
US8614253, 36-4
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| Structure |
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| Formula |
C17H19NO4S2
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| Molecular Weight |
365.476
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| Canonical SMILES |
CCOC(=O)C1CSC(N1)c1cc(cc(OC)c1O)-c1cccs1
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| InChI |
InChI=1S/C17H19NO4S2/c1-3-22-17(20)12-9-24-16(18-12)11-7-10(14-5-4-6-23-14)8-13(21-2)15(11)19/h4-8,12,16,18-19H,3,9H2,1-2H3
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| InChIKey |
YUSMELUUIBRUJZ-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