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canSAR745177
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NAMES
    SMILES
    COc1ccc2nc3cc(Cl)ccc3c(NCCCNCCCNc3c4ccccc4nc4ccccc34)c2c1
    InChI
    InChI=1S/C33H32ClN5O/c1-40-23-13-15-30-27(21-23)33(26-14-12-22(34)20-31(26)39-30)37-19-7-17-35-16-6-18-36-32-24-8-2-4-10-28(24)38-29-11-5-3-9-25(29)32/h2-5,8-15,20-21,35H,6-7,16-19H2,1H3,(H,36,38)(H,37,39)
    MOLECULAR FORMULA
    C33H32ClN5O
    CROSS REFERENCES
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    canSAR745177

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 549.23
    AlogP 7.65
    HBond donors 3
    HBond acceptors 6
    Atoms 72
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR745177.