General Information of the Compound
| Compound ID |
CP0125077
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| Compound Name |
(3S,4S,5R)-3-[[4-amino-3-fluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]methyl]-1,1-dioxo-5-[[3-(trifluoromethoxy)phenyl]methylamino]thian-4-ol
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| Structure |
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| Formula |
C23H22F10N2O5S
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| Molecular Weight |
628.485
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| Canonical SMILES |
Nc1c(F)cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(OC(F)(F)F)c3)[C@H]2O)cc1OC(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C23H22F10N2O5S/c24-15-6-12(7-17(18(15)34)39-20(21(25,26)27)22(28,29)30)4-13-9-41(37,38)10-16(19(13)36)35-8-11-2-1-3-14(5-11)40-23(31,32)33/h1-3,5-7,13,16,19-20,35-36H,4,8-10,34H2/t13-,16+,19+/m1/s1
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| InChIKey |
OCEZDSXYNMWVGV-AZOIQLNYSA-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