General Information of the Compound
| Compound ID |
CP0295882
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| Compound Name |
3-(1-(allyloxyimino)ethyl)-N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(N-phenylmethylsulfonamido)benzamide
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| Structure |
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| Formula |
C37H40F2N4O6S
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| Molecular Weight |
706.812
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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/OCC=C)N(c2ccccc2)S(C)(=O)=O)c1
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| InChI |
InChI=1S/C37H40F2N4O6S/c1-5-14-49-42-25(2)28-19-29(21-33(20-28)43(50(4,46)47)32-11-7-6-8-12-32)37(45)41-35(18-27-15-30(38)22-31(39)16-27)36(44)24-40-23-26-10-9-13-34(17-26)48-3/h5-13,15-17,19-22,35-36,40,44H,1,14,18,23-24H2,2-4H3,(H,41,45)/b42-25-/t35-,36+/m0/s1
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| InChIKey |
MZMAATFSWMNCNR-TUDOCBHASA-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