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canSAR746708
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NAMES
    SMILES
    Br.Br.c1cn(CCCCCCn2ccc(=NC3CCCCC3)cc2)ccc1=NC1CCCCC1
    InChI
    InChI=1S/C28H42N4.2BrH/c1(9-19-31-21-15-27(16-22-31)29-25-11-5-3-6-12-25)2-10-20-32-23-17-28(18-24-32)30-26-13-7-4-8-14-26;;/h15-18,21-26H,1-14,19-20H2;2*1H
    MOLECULAR FORMULA
    C28H44Br2N4
    CROSS REFERENCES
    746708 logo

    canSAR746708

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 594.19
    AlogP 7.17
    HBond donors 0
    HBond acceptors 4
    Atoms 78
    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 canSAR746708.