General Information of the Compound
| Compound ID |
CP0522078
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| Compound Name |
N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(triazol-2-yl)phenyl]cyclohexyl]amino]butan-2-yl]acetamide
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| Structure |
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| Formula |
C26H31F2N5O2
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| Molecular Weight |
483.563
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-n1nccn1
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| InChI |
InChI=1S/C26H31F2N5O2/c1-18(34)32-24(14-19-12-21(27)16-22(28)13-19)25(35)17-29-26(8-3-2-4-9-26)20-6-5-7-23(15-20)33-30-10-11-31-33/h5-7,10-13,15-16,24-25,29,35H,2-4,8-9,14,17H2,1H3,(H,32,34)/t24-,25+/m0/s1
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| InChIKey |
OWCGQYLBTBEMDE-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