General Information of the Compound
| Compound ID |
CP0484135
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| Compound Name |
US9212147, 47
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| Structure |
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| Formula |
C12H12N2O3S
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| Molecular Weight |
264.306
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| Canonical SMILES |
OCc1ccc(SCc2cc(=O)c(O)n[nH]2)cc1
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| InChI |
InChI=1S/C12H12N2O3S/c15-6-8-1-3-10(4-2-8)18-7-9-5-11(16)12(17)14-13-9/h1-5,15H,6-7H2,(H,13,16)(H,14,17)
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| InChIKey |
ODROUSQWRNAYBD-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