General Information of the Compound
| Compound ID |
CP0539528
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| Compound Name |
US8618114, 1.2(4)
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| Structure |
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| Formula |
C23H18N6O2S
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| Molecular Weight |
442.504
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| Canonical SMILES |
CNc1nn2c(cc(nc2c1S(=O)(=O)c1ccccc1)-c1ccccn1)-c1ccccn1
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| InChI |
InChI=1S/C23H18N6O2S/c1-24-22-21(32(30,31)16-9-3-2-4-10-16)23-27-19(17-11-5-7-13-25-17)15-20(29(23)28-22)18-12-6-8-14-26-18/h2-15H,1H3,(H,24,28)
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| InChIKey |
WZVQTIYBYVKRRW-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