General Information of the Compound
| Compound ID |
CP0539246
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| Compound Name |
US8618114, 1.2.10(3)
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| Structure |
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| Formula |
C19H17N5O3S
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| Molecular Weight |
395.444
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| Canonical SMILES |
CNc1nn2c(OC)cc(nc2c1S(=O)(=O)c1ccccc1)-c1cccnc1
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| InChI |
InChI=1S/C19H17N5O3S/c1-20-18-17(28(25,26)14-8-4-3-5-9-14)19-22-15(13-7-6-10-21-12-13)11-16(27-2)24(19)23-18/h3-12H,1-2H3,(H,20,23)
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| InChIKey |
RQGZCEUPKJEOAP-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