General Information of the Compound
| Compound ID |
CP0536198
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| Compound Name |
US8962837, 42
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| Structure |
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| Formula |
C14H12ClF3N4O
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| Molecular Weight |
344.724
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| Canonical SMILES |
FC(F)(F)c1ccc(Cl)c(OC2CCN(C2)c2nccnn2)c1
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| InChI |
InChI=1S/C14H12ClF3N4O/c15-11-2-1-9(14(16,17)18)7-12(11)23-10-3-6-22(8-10)13-19-4-5-20-21-13/h1-2,4-5,7,10H,3,6,8H2
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| InChIKey |
WWBVCAKAKGRAPT-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