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canSAR1149811
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NAMES
    SMILES
    CCCCCCCN1C(=N)NC[C@@H]1CCCCN1C[C@@H](Cc2ccccc2)N(CCc2cccc(Br)c2)C1=N
    InChI
    InChI=1S/C32H47BrN6/c1-2-3-4-5-10-20-38-29(24-36-31(38)34)17-9-11-19-37-25-30(23-26-13-7-6-8-14-26)39(32(37)35)21-18-27-15-12-16-28(33)22-27/h6-8,12-16,22,29-30,35H,2-5,9-11,17-21,23-25H2,1H3,(H2,34,36)/t29-,30+/m0/s1
    MOLECULAR FORMULA
    C32H47BrN6
    CROSS REFERENCES
    1149811 logo

    canSAR1149811

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 594.30
    AlogP 6.50
    HBond donors 3
    HBond acceptors 6
    Atoms 86
    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 canSAR1149811.