General Information of the Compound
| Compound ID |
CP0554177
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| Compound Name |
US8993565, 151
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| Structure |
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| Formula |
C16H17N5O6
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| Molecular Weight |
375.341
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| Canonical SMILES |
Oc1c(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)cccc1[N+]([O-])=O
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| InChI |
InChI=1S/C16H17N5O6/c22-14(17-10-2-1-3-11(16(10)24)21(25)26)8-12-18-13(9-15(23)19-12)20-4-6-27-7-5-20/h1-3,9,24H,4-8H2,(H,17,22)(H,18,19,23)
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| InChIKey |
JDXZQNCERQSWQA-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