General Information of the Compound
| Compound ID |
CP0450053
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| Compound Name |
US8796284, 44
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| Structure |
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| Formula |
C9H7BrF3N5O
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| Molecular Weight |
338.087
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| Canonical SMILES |
Nc1nc(nc(OCC(F)(F)F)c1Br)-n1cccn1
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| InChI |
InChI=1S/C9H7BrF3N5O/c10-5-6(14)16-8(18-3-1-2-15-18)17-7(5)19-4-9(11,12)13/h1-3H,4H2,(H2,14,16,17)
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| InChIKey |
FWJUNYDCSATLOX-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