General Information of the Compound
| Compound ID |
CP0547475
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| Compound Name |
US9428456, 1.286
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| Structure |
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| Formula |
C22H27F3N6O2
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| Molecular Weight |
464.492
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| Canonical SMILES |
CC(C)(C)NC(=O)C1CCN(Cc2nccc(NC(=O)c3cccc(n3)C(F)(F)F)n2)CC1
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| InChI |
InChI=1S/C22H27F3N6O2/c1-21(2,3)30-19(32)14-8-11-31(12-9-14)13-18-26-10-7-17(28-18)29-20(33)15-5-4-6-16(27-15)22(23,24)25/h4-7,10,14H,8-9,11-13H2,1-3H3,(H,30,32)(H,26,28,29,33)
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| InChIKey |
QPKVVKCTOBNZLR-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