General Information of the Compound
| Compound ID |
CP0563969
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| Compound Name |
US9012651, 156
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| Structure |
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| Formula |
C17H20F3N3O
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| Molecular Weight |
339.361
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| Canonical SMILES |
CC(C)(CO)CNCc1ccnc(n1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C17H20F3N3O/c1-16(2,11-24)10-21-9-14-7-8-22-15(23-14)12-3-5-13(6-4-12)17(18,19)20/h3-8,21,24H,9-11H2,1-2H3
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| InChIKey |
HROPRIFDAWTDES-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