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canSAR1958449
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NAMES
    SMILES
    CCN1CCN(c2ncc3ncnc(Nc4cc(NC(=O)c5cccc(C(C)(C)C#N)c5)ccc4C)c3n2)CC1
    InChI
    InChI=1S/C30H33N9O/c1-5-38-11-13-39(14-12-38)29-32-17-25-26(37-29)27(34-19-33-25)36-24-16-23(10-9-20(24)2)35-28(40)21-7-6-8-22(15-21)30(3,4)18-31/h6-10,15-17,19H,5,11-14H2,1-4H3,(H,35,40)(H,33,34,36)
    MOLECULAR FORMULA
    C30H33N9O
    CROSS REFERENCES
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    canSAR1958449

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 535.28
    AlogP 4.67
    HBond donors 2
    HBond acceptors 10
    Atoms 73
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1958449.