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canSAR2048534
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NAMES
    SMILES
    Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCCN5CCOCC5)cc34)cc2Cl)c1
    InChI
    InChI=1S/C29H30ClFN6O2S/c30-25-17-23(6-8-27(25)39-18-20-3-1-4-21(31)15-20)35-28-24-16-22(5-7-26(24)33-19-34-28)36-29(40)32-9-2-10-37-11-13-38-14-12-37/h1,3-8,15-17,19H,2,9-14,18H2,(H2,32,36,40)(H,33,34,35)
    MOLECULAR FORMULA
    C29H30ClFN6O2S
    CROSS REFERENCES
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    canSAR2048534

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 580.18
    AlogP 5.75
    HBond donors 3
    HBond acceptors 8
    Atoms 70
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2048534.