General Information of the Compound
| Compound ID |
CP0563980
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| Compound Name |
US8791272, 7.3
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| Structure |
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| Formula |
C23H22F3N3O3
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| Molecular Weight |
445.441
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| Canonical SMILES |
Cc1nn(Cc2ccc(NC(=O)c3ccc(cc3)C(F)(F)F)c(C)c2)c(C)c1CC(O)=O
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| InChI |
InChI=1S/C23H22F3N3O3/c1-13-10-16(12-29-15(3)19(11-21(30)31)14(2)28-29)4-9-20(13)27-22(32)17-5-7-18(8-6-17)23(24,25)26/h4-10H,11-12H2,1-3H3,(H,27,32)(H,30,31)
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| InChIKey |
NEYMQTKWHYXCDF-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