General Information of the Compound
| Compound ID |
CP0505734
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| Compound Name |
N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(3-methylsulfonylphenyl)cyclohexyl]amino]butan-2-yl]acetamide
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| Structure |
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| Formula |
C25H32F2N2O4S
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| Molecular Weight |
494.604
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)S(C)(=O)=O
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| InChI |
InChI=1S/C25H32F2N2O4S/c1-17(30)29-23(13-18-11-20(26)15-21(27)12-18)24(31)16-28-25(9-4-3-5-10-25)19-7-6-8-22(14-19)34(2,32)33/h6-8,11-12,14-15,23-24,28,31H,3-5,9-10,13,16H2,1-2H3,(H,29,30)/t23-,24+/m0/s1
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| InChIKey |
STSQRZUZZJGMPW-BJKOFHAPSA-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