canSAR1083612
FEATURES
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NAMES
    SMILES
    C=CCO[C@@H]1[C@H](OC(=O)CCC)[C@H](Oc2ccc(Br)cc2)O[C@@H](COS(=O)(=O)c2cccc(C(F)(F)F)c2)[C@H]1O
    InChI
    InChI=1S/C26H28BrF3O9S/c1-3-6-21(31)39-24-23(35-13-4-2)22(32)20(38-25(24)37-18-11-9-17(27)10-12-18)15-36-40(33,34)19-8-5-7-16(14-19)26(28,29)30/h4-5,7-12,14,20,22-25,32H,2-3,6,13,15H2,1H3/t20-,22+,23-,24-,25+/m0/s1
    MOLECULAR FORMULA
    C26H28BrF3O9S
    CROSS REFERENCES
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    canSAR1083612
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight652.06
    AlogP4.62
    HBond donors1
    HBond acceptors9
    Atoms68
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1083612.