General Information of the Compound
| Compound ID |
CP0554059
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| Compound Name |
US9428456, 2.068
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| Structure |
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| Formula |
C21H23F3N4O2
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| Molecular Weight |
420.435
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| Canonical SMILES |
CNC(=O)C1CCN(Cc2cccc(NC(=O)c3cccc(n3)C(F)(F)F)c2)CC1
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| InChI |
InChI=1S/C21H23F3N4O2/c1-25-19(29)15-8-10-28(11-9-15)13-14-4-2-5-16(12-14)26-20(30)17-6-3-7-18(27-17)21(22,23)24/h2-7,12,15H,8-11,13H2,1H3,(H,25,29)(H,26,30)
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| InChIKey |
UNOSFMVQUBZGHO-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