General Information of the Compound
| Compound ID |
CP0569791
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| Compound Name |
US10239843, Example 5
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| Structure |
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| Formula |
C16H18N4O4S
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| Molecular Weight |
362.411
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| Canonical SMILES |
CCn1c2ccc(cc2c(=O)n(CC)c1=O)S(=O)(=O)NC1(CC1)C#N
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| InChI |
InChI=1S/C16H18N4O4S/c1-3-19-13-6-5-11(25(23,24)18-16(10-17)7-8-16)9-12(13)14(21)20(4-2)15(19)22/h5-6,9,18H,3-4,7-8H2,1-2H3
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| InChIKey |
FFGAYNUZONQQNO-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