General Information of the Compound
| Compound ID |
CP0557559
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| Compound Name |
US8993565, 142
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| Structure |
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| Formula |
C16H17BrN4O4
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| Molecular Weight |
409.24
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| Canonical SMILES |
Oc1c(Br)cccc1NC(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
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| InChI |
InChI=1S/C16H17BrN4O4/c17-10-2-1-3-11(16(10)24)18-14(22)8-12-19-13(9-15(23)20-12)21-4-6-25-7-5-21/h1-3,9,24H,4-8H2,(H,18,22)(H,19,20,23)
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| InChIKey |
FGXINGLTUMNPMT-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