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canSAR747819
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NAMES
    SMILES
    Br.Br.CCCCCCCN=c1ccn(CCCCCn2ccc(=NCCCCCCC)cc2)cc1
    InChI
    InChI=1S/C29H48N4.2BrH/c1-3-5-7-9-12-20-30-28-16-24-32(25-17-28)22-14-11-15-23-33-26-18-29(19-27-33)31-21-13-10-8-6-4-2;;/h16-19,24-27H,3-15,20-23H2,1-2H3;2*1H
    MOLECULAR FORMULA
    C29H50Br2N4
    CROSS REFERENCES
    747819 logo

    canSAR747819

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 612.24
    AlogP 8.06
    HBond donors 0
    HBond acceptors 4
    Atoms 85
    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 canSAR747819.