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canSAR552537
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NAMES
    SMILES
    C=C1CC(COc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(=N)N)n(C)c4)n(C)c3)n(C)n2)(c2ccccc2)OC1=O
    InChI
    InChI=1S/C32H35N9O6/c1-19-15-32(47-31(19)45,20-8-6-5-7-9-20)18-46-27-14-25(41(4)38-27)30(44)37-22-13-24(40(3)17-22)29(43)36-21-12-23(39(2)16-21)28(42)35-11-10-26(33)34/h5-9,12-14,16-17H,1,10-11,15,18H2,2-4H3,(H3,33,34)(H,35,42)(H,36,43)(H,37,44)
    MOLECULAR FORMULA
    C32H35N9O6
    CROSS REFERENCES
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    canSAR552537

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 641.27
    AlogP 2.43
    HBond donors 6
    HBond acceptors 15
    Atoms 82
    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 canSAR552537.