General Information of the Compound
| Compound ID |
CP0231059
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| Compound Name |
3-(1-(benzyloxyimino)ethyl)-N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(N-methylmethylsulfonamido)benzamide
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| Structure |
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| Formula |
C36H40F2N4O6S
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| Molecular Weight |
694.801
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| Canonical SMILES |
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(\C)=N/OCc2ccccc2)N(C)S(C)(=O)=O)c1
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| InChI |
InChI=1S/C36H40F2N4O6S/c1-24(41-48-23-25-9-6-5-7-10-25)28-17-29(19-32(18-28)42(2)49(4,45)46)36(44)40-34(16-27-13-30(37)20-31(38)14-27)35(43)22-39-21-26-11-8-12-33(15-26)47-3/h5-15,17-20,34-35,39,43H,16,21-23H2,1-4H3,(H,40,44)/b41-24-/t34-,35+/m0/s1
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| InChIKey |
LYVMHNNDJFSBDO-BFBYKYGFSA-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