General Information of the Compound
| Compound ID |
CP0231910
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| Compound Name |
N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[1-(trimethylsilylmethyl)triazol-4-yl]cyclohexyl]amino]butan-2-yl]acetamide
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| Structure |
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| Formula |
C24H37F2N5O2Si
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| Molecular Weight |
493.675
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cn(C[Si](C)(C)C)nn1
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| InChI |
InChI=1S/C24H37F2N5O2Si/c1-17(32)28-21(12-18-10-19(25)13-20(26)11-18)22(33)14-27-24(8-6-5-7-9-24)23-15-31(30-29-23)16-34(2,3)4/h10-11,13,15,21-22,27,33H,5-9,12,14,16H2,1-4H3,(H,28,32)/t21-,22+/m0/s1
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| InChIKey |
ZMXVFQQEYSIUTL-FCHUYYIVSA-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