General Information of the Compound
| Compound ID |
CP0495294
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| Compound Name |
US9428456, 2.067
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| Structure |
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| Formula |
C26H33F3N4O3
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| Molecular Weight |
506.569
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| Canonical SMILES |
CC(C)(C)[C@@H](CO)NC(=O)C1CCN(Cc2cccc(NC(=O)c3cccc(n3)C(F)(F)F)c2)CC1
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| InChI |
InChI=1S/C26H33F3N4O3/c1-25(2,3)22(16-34)32-23(35)18-10-12-33(13-11-18)15-17-6-4-7-19(14-17)30-24(36)20-8-5-9-21(31-20)26(27,28)29/h4-9,14,18,22,34H,10-13,15-16H2,1-3H3,(H,30,36)(H,32,35)/t22-/m1/s1
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| InChIKey |
KGFUCJVXVMPSBP-JOCHJYFZSA-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