General Information of the Compound
| Compound ID |
CP0509000
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| Compound Name |
US8916553, 176
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| Structure |
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| Formula |
C21H18N4O3S
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| Molecular Weight |
406.467
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| Canonical SMILES |
COc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1-c1cncnc1C
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| InChI |
InChI=1S/C21H18N4O3S/c1-14-18(12-22-13-24-14)17-9-8-16(11-19(17)28-2)25-29(26,27)20-7-3-5-15-6-4-10-23-21(15)20/h3-13,25H,1-2H3
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| InChIKey |
ASIZCFLZEUUXRR-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