General Information of the Compound
| Compound ID |
CP0451549
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| Compound Name |
US9409917, 113
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| Structure |
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| Formula |
C17H15BrN2O2
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| Molecular Weight |
359.223
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| Canonical SMILES |
Brc1cccc2CCC(NC(=O)C3COc4ncccc34)c12
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| InChI |
InChI=1S/C17H15BrN2O2/c18-13-5-1-3-10-6-7-14(15(10)13)20-16(21)12-9-22-17-11(12)4-2-8-19-17/h1-5,8,12,14H,6-7,9H2,(H,20,21)
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| InChIKey |
NZCFDDMETPJUAL-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