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canSAR778379
FEATURES
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NAMES
    SMILES
    CC(=O)Nc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1
    InChI
    InChI=1S/C28H31N5O3S/c1-19(34)32-22-8-5-9-24(14-22)36-16-23(35)15-29-21-10-12-33(13-11-21)27-26-25(20-6-3-2-4-7-20)17-37-28(26)31-18-30-27/h2-9,14,17-18,21,23,29,35H,10-13,15-16H2,1H3,(H,32,34)
    MOLECULAR FORMULA
    C28H31N5O3S
    CROSS REFERENCES
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    canSAR778379

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 517.21
    AlogP 4.32
    HBond donors 3
    HBond acceptors 8
    Atoms 68
    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 canSAR778379.