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canSAR1636358
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NAMES
    SMILES
    CC(C)c1cc(-c2nnc(NC(=O)c3ccco3)n2-c2ccc3c(ccn3C)c2)c(O)cc1O
    InChI
    InChI=1S/C25H23N5O4/c1-14(2)17-12-18(21(32)13-20(17)31)23-27-28-25(26-24(33)22-5-4-10-34-22)30(23)16-6-7-19-15(11-16)8-9-29(19)3/h4-14,31-32H,1-3H3,(H,26,28,33)
    MOLECULAR FORMULA
    C25H23N5O4
    CROSS REFERENCES
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    canSAR1636358

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 457.18
    AlogP 4.81
    HBond donors 3
    HBond acceptors 9
    Atoms 57
    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 canSAR1636358.