General Information of the Compound
| Compound ID |
CP0043188
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| Compound Name |
US8889672, 317-094-001
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| Structure |
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| Formula |
C13H14N2O2S
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| Molecular Weight |
262.334
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| Canonical SMILES |
CCOC(=O)c1c(N)scc1-c1ccc(N)cc1
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| InChI |
InChI=1S/C13H14N2O2S/c1-2-17-13(16)11-10(7-18-12(11)15)8-3-5-9(14)6-4-8/h3-7H,2,14-15H2,1H3
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| InChIKey |
ZRXWNOGVCDTEHB-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