General Information of the Compound
| Compound ID |
CP0556080
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| Compound Name |
US8993565, 69
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| Structure |
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| Formula |
C17H19BrN4O3
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| Molecular Weight |
407.268
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| Canonical SMILES |
Cn1c(CC(=O)Nc2cccc(Br)c2)nc(cc1=O)N1CCOCC1
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| InChI |
InChI=1S/C17H19BrN4O3/c1-21-14(10-16(23)19-13-4-2-3-12(18)9-13)20-15(11-17(21)24)22-5-7-25-8-6-22/h2-4,9,11H,5-8,10H2,1H3,(H,19,23)
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| InChIKey |
UXOSSZIFRFEGMC-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