General Information of the Compound
| Compound ID |
CP0557024
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| Compound Name |
US9012443, 14 (isomer 1)
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| Structure |
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| Formula |
C22H20N4O3S2
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| Molecular Weight |
452.561
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| Canonical SMILES |
O=S(=O)(Nc1ncns1)c1ccc2c(cccc2c1)N1CCOC(C1)c1ccccc1
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| InChI |
InChI=1S/C22H20N4O3S2/c27-31(28,25-22-23-15-24-30-22)18-9-10-19-17(13-18)7-4-8-20(19)26-11-12-29-21(14-26)16-5-2-1-3-6-16/h1-10,13,15,21H,11-12,14H2,(H,23,24,25)
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| InChIKey |
PRMPMEPZCSZBOP-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