General Information of the Compound
| Compound ID |
CP0516216
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| Compound Name |
US9199981, F28
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| Structure |
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| Formula |
C22H22N6O4S
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| Molecular Weight |
466.523
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| Canonical SMILES |
Cc1ccc(cc1NC(=O)c1cnc2ccccn12)-c1noc(n1)C1(CCC1)NS(C)(=O)=O
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| InChI |
InChI=1S/C22H22N6O4S/c1-14-7-8-15(19-25-21(32-26-19)22(9-5-10-22)27-33(2,30)31)12-16(14)24-20(29)17-13-23-18-6-3-4-11-28(17)18/h3-4,6-8,11-13,27H,5,9-10H2,1-2H3,(H,24,29)
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| InChIKey |
AUBYKKLQGKVMBE-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