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canSAR650665
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NAMES
    SMILES
    COc1cc2c(Oc3ccc(-c4nc5ccccc5s4)cc3)ncnc2cc1OCCCN1CCCC1
    InChI
    InChI=1S/C29H28N4O3S/c1-34-25-17-22-24(18-26(25)35-16-6-15-33-13-4-5-14-33)30-19-31-28(22)36-21-11-9-20(10-12-21)29-32-23-7-2-3-8-27(23)37-29/h2-3,7-12,17-19H,4-6,13-16H2,1H3
    MOLECULAR FORMULA
    C29H28N4O3S
    CROSS REFERENCES
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    canSAR650665

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 512.19
    AlogP 6.57
    HBond donors 0
    HBond acceptors 7
    Atoms 65
    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 canSAR650665.