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canSAR1650916
FEATURES
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NAMES
    SMILES
    CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5ccc(N)nc5)s4)c3)cc2C1
    InChI
    InChI=1S/C28H27N5O2S/c1-33-12-11-19-5-7-23(14-22(19)17-33)32-27(34)20-4-2-3-18(13-20)15-31-28(35)25-9-8-24(36-25)21-6-10-26(29)30-16-21/h2-10,13-14,16H,11-12,15,17H2,1H3,(H2,29,30)(H,31,35)(H,32,34)
    MOLECULAR FORMULA
    C28H27N5O2S
    CROSS REFERENCES
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    canSAR1650916

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 497.19
    AlogP 4.56
    HBond donors 4
    HBond acceptors 7
    Atoms 63
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1650916.