General Information of the Compound
Compound ID |
CP0123218
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Compound Name |
US8614253, 43-13
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Structure |
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Formula |
C11H7NO4S
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Molecular Weight |
249.247
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Canonical SMILES |
Oc1c(C=O)cc(cc1N(=O)=O)-c1ccsc1
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InChI |
InChI=1S/C11H7NO4S/c13-5-9-3-8(7-1-2-17-6-7)4-10(11(9)14)12(15)16/h1-6,14H
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InChIKey |
KVEJKXYUHAZWDR-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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