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canSAR113137
FEATURES
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NAMES
    SMILES
    N#CN/C(=N/CCOCCO)N1CCC(=C2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1
    InChI
    InChI=1S/C25H27BrClN5O2/c26-20-13-19-2-1-18-14-21(27)3-4-22(18)23(24(19)30-15-20)17-5-8-32(9-6-17)25(31-16-28)29-7-11-34-12-10-33/h3-4,13-15,33H,1-2,5-12H2,(H,29,31)
    MOLECULAR FORMULA
    C25H27BrClN5O2
    CROSS REFERENCES
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    canSAR113137

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 543.10
    AlogP 3.93
    HBond donors 2
    HBond acceptors 7
    Atoms 61
    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 canSAR113137.