General Information of the Compound
| Compound ID |
CP0539061
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| Compound Name |
US9012651, 171
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| Structure |
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| Formula |
C18H20F3N3O
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| Molecular Weight |
351.372
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| Canonical SMILES |
O[C@H]1CCCC[C@@H]1NCc1ccnc(n1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C18H20F3N3O/c19-18(20,21)13-7-5-12(6-8-13)17-22-10-9-14(24-17)11-23-15-3-1-2-4-16(15)25/h5-10,15-16,23,25H,1-4,11H2/t15-,16-/m0/s1
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| InChIKey |
LJSBOVZBNUPIKE-HOTGVXAUSA-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