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canSAR644908
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NAMES
    SMILES
    CCN(CCCl)c1cc(CN(C)C)cc(NC(=O)C23CCC(C(=O)Nc4cc(CN(C)C)cc(N(CC)CCCl)c4)(CC2)CC3)c1.Cl
    InChI
    InChI=1S/C36H54Cl2N6O2.ClH/c1-7-43(17-15-37)31-21-27(25-41(3)4)19-29(23-31)39-33(45)35-9-12-36(13-10-35,14-11-35)34(46)40-30-20-28(26-42(5)6)22-32(24-30)44(8-2)18-16-38;/h19-24H,7-18,25-26H2,1-6H3,(H,39,45)(H,40,46);1H
    MOLECULAR FORMULA
    C36H55Cl3N6O2
    CROSS REFERENCES
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    canSAR644908

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 708.35
    AlogP 7.28
    HBond donors 2
    HBond acceptors 8
    Atoms 102
    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 canSAR644908.