General Information of the Compound
| Compound ID |
CP0503882
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| Compound Name |
N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(3-iodophenyl)cyclohexyl]amino]butan-2-yl]acetamide
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| Structure |
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| Formula |
C24H29F2IN2O2
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| Molecular Weight |
542.408
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(I)c1
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| InChI |
InChI=1S/C24H29F2IN2O2/c1-16(30)29-22(12-17-10-19(25)14-20(26)11-17)23(31)15-28-24(8-3-2-4-9-24)18-6-5-7-21(27)13-18/h5-7,10-11,13-14,22-23,28,31H,2-4,8-9,12,15H2,1H3,(H,29,30)/t22-,23+/m0/s1
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| InChIKey |
NMVADCDYVIVWHB-XZOQPEGZSA-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