General Information of the Compound
| Compound ID |
CP0462615
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| Compound Name |
US9012651, 190
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| Structure |
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| Formula |
C15H17F3N4O
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| Molecular Weight |
326.322
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| Canonical SMILES |
CC(O)C(C)NCc1ccnc(n1)-c1ccc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C15H17F3N4O/c1-9(10(2)23)20-8-12-5-6-19-14(22-12)11-3-4-13(21-7-11)15(16,17)18/h3-7,9-10,20,23H,8H2,1-2H3
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| InChIKey |
HAHDKTWKKZNOKN-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