General Information of the Compound
| Compound ID |
CP0108632
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| Compound Name |
(1R,3S,4S,5R)-3-[[4-amino-3-fluoro-5-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxyphenyl]methyl]-1-oxo-5-[[3-(trifluoromethoxy)phenyl]methylamino]thian-4-ol
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| Structure |
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| Formula |
C24H27F7N2O5S
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| Molecular Weight |
588.542
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| Canonical SMILES |
COC[C@@H](Oc1cc(C[C@@H]2C[S@@](=O)C[C@H](NCc3cccc(OC(F)(F)F)c3)[C@H]2O)cc(F)c1N)C(F)(F)F
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| InChI |
InChI=1S/C24H27F7N2O5S/c1-36-10-20(23(26,27)28)37-19-8-14(7-17(25)21(19)32)5-15-11-39(35)12-18(22(15)34)33-9-13-3-2-4-16(6-13)38-24(29,30)31/h2-4,6-8,15,18,20,22,33-34H,5,9-12,32H2,1H3/t15-,18+,20-,22+,39-/m1/s1
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| InChIKey |
OOOLZCKPVRMIHJ-QKDGCWAWSA-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