General Information of the Compound
| Compound ID |
CP0410550
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| Compound Name |
US8791272, 2.50
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| Structure |
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| Formula |
C25H24F3N3O3
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| Molecular Weight |
471.479
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| Canonical SMILES |
CCc1nn(Cc2ccc(NC(=O)c3ccc(cc3)C(F)(F)F)cc2)c(C2CC2)c1CC(O)=O
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| InChI |
InChI=1S/C25H24F3N3O3/c1-2-21-20(13-22(32)33)23(16-5-6-16)31(30-21)14-15-3-11-19(12-4-15)29-24(34)17-7-9-18(10-8-17)25(26,27)28/h3-4,7-12,16H,2,5-6,13-14H2,1H3,(H,29,34)(H,32,33)
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| InChIKey |
VLWGXHKSSTYXKM-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