General Information of the Compound
| Compound ID |
CP0537212
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| Compound Name |
CHEMBL4063125
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| Formula |
C26H20N4O5S2
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| Molecular Weight |
532.603
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Cc2c(O)n(nc2-c2cccc(c2)-c2ccccc2)-c2nc(cs2)C(O)=O)cc1
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| InChI |
InChI=1S/C26H20N4O5S2/c27-37(34,35)20-11-9-16(10-12-20)13-21-23(19-8-4-7-18(14-19)17-5-2-1-3-6-17)29-30(24(21)31)26-28-22(15-36-26)25(32)33/h1-12,14-15,31H,13H2,(H,32,33)(H2,27,34,35)
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| InChIKey |
BWWQQSBRUHYWRF-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