General Information of the Compound
| Compound ID |
CP0458051
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| Compound Name |
US10239843, Example 3
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| Structure |
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| Formula |
C14H14N4O4S
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| Molecular Weight |
334.357
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| Canonical SMILES |
Cn1c2ccc(cc2c(=O)n(C)c1=O)S(=O)(=O)NC1(CC1)C#N
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| InChI |
InChI=1S/C14H14N4O4S/c1-17-11-4-3-9(7-10(11)12(19)18(2)13(17)20)23(21,22)16-14(8-15)5-6-14/h3-4,7,16H,5-6H2,1-2H3
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| InChIKey |
GSLXEMUKIRRVQR-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