General Information of the Compound
| Compound ID |
CP0564357
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| Compound Name |
US9012651, 119
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| Structure |
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| Formula |
C17H18F4N4O
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| Molecular Weight |
370.35
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| Canonical SMILES |
CC(C)[C@H](NCc1nc(ccc1F)-c1ccc(nc1)C(F)(F)F)C(N)=O
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| InChI |
InChI=1S/C17H18F4N4O/c1-9(2)15(16(22)26)24-8-13-11(18)4-5-12(25-13)10-3-6-14(23-7-10)17(19,20)21/h3-7,9,15,24H,8H2,1-2H3,(H2,22,26)/t15-/m0/s1
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| InChIKey |
KUSSVTUKEHBPSL-HNNXBMFYSA-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