General Information of the Compound
| Compound ID |
CP0572264
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| Compound Name |
US9428456, 1.276
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| Structure |
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| Formula |
C25H31F3N4O2
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| Molecular Weight |
476.543
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| Canonical SMILES |
CC(C)CN(C)C(=O)C1CCN(Cc2cccc(NC(=O)c3cncc(c3)C(F)(F)F)c2)CC1
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| InChI |
InChI=1S/C25H31F3N4O2/c1-17(2)15-31(3)24(34)19-7-9-32(10-8-19)16-18-5-4-6-22(11-18)30-23(33)20-12-21(14-29-13-20)25(26,27)28/h4-6,11-14,17,19H,7-10,15-16H2,1-3H3,(H,30,33)
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| InChIKey |
KNBNODDSKXAEIW-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