canSAR823892
FEATURES
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NAMES
    SMILES
    CCc1nc2ccccc2n1C1C[C@@H]2CC[C@H](C1)N2CCC(NC(=O)C1CC[S+]([O-])CC1)c1cccc(F)c1
    InChI
    InChI=1S/C31H39FN4O2S/c1-2-30-33-28-8-3-4-9-29(28)36(30)26-19-24-10-11-25(20-26)35(24)15-12-27(22-6-5-7-23(32)18-22)34-31(37)21-13-16-39(38)17-14-21/h3-9,18,21,24-27H,2,10-17,19-20H2,1H3,(H,34,37)/t21?,24-,25+,26?,27?,39?
    MOLECULAR FORMULA
    C31H39FN4O2S
    CROSS REFERENCES
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    canSAR823892
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight550.28
    AlogP5.31
    HBond donors1
    HBond acceptors6
    Atoms78
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR823892.