General Information of the Compound
| Compound ID |
CP0554415
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| Compound Name |
US9428456, 5.001
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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(Cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)ncn2)CC1
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| InChI |
InChI=1S/C22H27F3N6O2/c1-21(2,3)30-19(32)14-7-9-31(10-8-14)12-15-11-18(27-13-26-15)29-20(33)16-5-4-6-17(28-16)22(23,24)25/h4-6,11,13-14H,7-10,12H2,1-3H3,(H,30,32)(H,26,27,29,33)
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| InChIKey |
WFHKDNAGIUCHRL-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