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canSAR1690595
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NAMES
    SMILES
    Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(OCc3ccccc3)cc2)c1CN1CCCCC1
    InChI
    InChI=1S/C25H27N9O3/c26-23-24(31-37-30-23)34-21(16-33-13-5-2-6-14-33)22(28-32-34)25(35)29-27-15-18-9-11-20(12-10-18)36-17-19-7-3-1-4-8-19/h1,3-4,7-12,15H,2,5-6,13-14,16-17H2,(H2,26,30)(H,29,35)
    MOLECULAR FORMULA
    C25H27N9O3
    CROSS REFERENCES
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    canSAR1690595

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 501.22
    AlogP 2.56
    HBond donors 3
    HBond acceptors 12
    Atoms 64
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1690595.