General Information of the Compound
| Compound ID |
CP0560638
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| Compound Name |
US8618114, 1.1(6)
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| Structure |
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| Formula |
C21H19N3O3S2
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| Molecular Weight |
425.535
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| Canonical SMILES |
CSc1nn2c(C)c(Oc3ccccc3)c(C)nc2c1S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C21H19N3O3S2/c1-14-18(27-16-10-6-4-7-11-16)15(2)24-20(22-14)19(21(23-24)28-3)29(25,26)17-12-8-5-9-13-17/h4-13H,1-3H3
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| InChIKey |
WKLWXXDFLFZUTP-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