General Information of the Compound
| Compound ID |
CP0386262
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| Compound Name |
4-[(1S,2R,6R,7S,8R)-8-hydroxy-2-methyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-(trifluoromethyl)benzonitrile
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| Structure |
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| Formula |
C17H17F3N2O3S
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| Molecular Weight |
386.395
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| Canonical SMILES |
C[C@@]12[C@@H]3C[C@@H](O)[C@@H](C3)[C@@H]1CN(c1ccc(C#N)c(c1)C(F)(F)F)S2(=O)=O
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| InChI |
InChI=1S/C17H17F3N2O3S/c1-16-10-4-12(15(23)5-10)14(16)8-22(26(16,24)25)11-3-2-9(7-21)13(6-11)17(18,19)20/h2-3,6,10,12,14-15,23H,4-5,8H2,1H3/t10-,12-,14-,15+,16+/m0/s1
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| InChIKey |
LTGSMLGJNCDBLF-JCGRBJNKSA-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