General Information of the Compound
| Compound ID |
CP0516386
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| Compound Name |
US9303045, 105
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| Structure |
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| Formula |
C17H18F4N4O2
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| Molecular Weight |
386.349
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| Canonical SMILES |
Fc1cnc2n(CC(F)(F)F)cc(C(=O)NC3CC4COCC(C3)N4)c2c1
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| InChI |
InChI=1S/C17H18F4N4O2/c18-9-1-13-14(5-25(8-17(19,20)21)15(13)22-4-9)16(26)24-10-2-11-6-27-7-12(3-10)23-11/h1,4-5,10-12,23H,2-3,6-8H2,(H,24,26)
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| InChIKey |
BCXCXMRRNLQMTK-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