canSAR2061498
FEATURES
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NAMES
    SMILES
    COc1cc2nc(NCCC3CCOCC3)nc(Nc3cc(C(C)(C)C)n(C)n3)c2cc1OC
    InChI
    InChI=1S/C25H36N6O3/c1-25(2,3)21-15-22(30-31(21)4)28-23-17-13-19(32-5)20(33-6)14-18(17)27-24(29-23)26-10-7-16-8-11-34-12-9-16/h13-16H,7-12H2,1-6H3,(H2,26,27,28,29,30)
    MOLECULAR FORMULA
    C25H36N6O3
    CROSS REFERENCES
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    canSAR2061498
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight468.28
    AlogP4.65
    HBond donors2
    HBond acceptors9
    Atoms70
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2061498.