General Information of the Compound
| Compound ID |
CP0497391
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| Compound Name |
N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(2-oxoimidazolidin-1-yl)phenyl]cyclohexyl]amino]butan-2-yl]acetamide
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| Structure |
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| Formula |
C27H34F2N4O3
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| Molecular Weight |
500.59
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)N1CCNC1=O
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| InChI |
InChI=1S/C27H34F2N4O3/c1-18(34)32-24(14-19-12-21(28)16-22(29)13-19)25(35)17-31-27(8-3-2-4-9-27)20-6-5-7-23(15-20)33-11-10-30-26(33)36/h5-7,12-13,15-16,24-25,31,35H,2-4,8-11,14,17H2,1H3,(H,30,36)(H,32,34)/t24-,25+/m0/s1
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| InChIKey |
FKHMBXUPOKQOFP-LOSJGSFVSA-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