General Information of the Compound
| Compound ID |
CP0550977
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| Compound Name |
US8916553, 154
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| Structure |
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| Formula |
C25H19N3O3S
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| Molecular Weight |
441.512
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| Canonical SMILES |
COc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1-c1cncc2ccccc12
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| InChI |
InChI=1S/C25H19N3O3S/c1-31-23-14-19(11-12-21(23)22-16-26-15-18-6-2-3-9-20(18)22)28-32(29,30)24-10-4-7-17-8-5-13-27-25(17)24/h2-16,28H,1H3
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| InChIKey |
LIDNZZWHHQMRIP-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