General Information of the Compound
| Compound ID |
CP0330911
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| Compound Name |
3-((Z)-1-(benzyloxyimino)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 |
C41H42F2N4O6S
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| Molecular Weight |
756.872
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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(c2ccccc2)S(C)(=O)=O)c1
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| InChI |
InChI=1S/C41H42F2N4O6S/c1-28(46-53-27-29-11-6-4-7-12-29)32-21-33(23-37(22-32)47(54(3,50)51)36-14-8-5-9-15-36)41(49)45-39(20-31-17-34(42)24-35(43)18-31)40(48)26-44-25-30-13-10-16-38(19-30)52-2/h4-19,21-24,39-40,44,48H,20,25-27H2,1-3H3,(H,45,49)/b46-28-/t39-,40+/m0/s1
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| InChIKey |
PNMMECGLBBLQDQ-VHNZTDDISA-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