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canSAR922922
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NAMES
    SMILES
    COc1cc(Cc2cnc(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3[C@@H]2c2cnc(N3CCOCC3)nc2)c1OC
    InChI
    InChI=1S/C32H33N9O4/c1-43-26-15-20(14-23-16-35-31(34)39-30(23)33)13-21(29(26)44-2)7-8-27(42)41-28(25-6-4-3-5-22(25)19-38-41)24-17-36-32(37-18-24)40-9-11-45-12-10-40/h3-8,13,15-19,28H,9-12,14H2,1-2H3,(H4,33,34,35,39)/b8-7+/t28-/m0/s1
    MOLECULAR FORMULA
    C32H33N9O4
    CROSS REFERENCES
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    canSAR922922

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 607.27
    AlogP 2.85
    HBond donors 4
    HBond acceptors 13
    Atoms 78
    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 canSAR922922.