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canSAR1969466
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NAMES
    SMILES
    Cc1ccc(CCCO)c(/N=C/c2ccc3nc(NCCCN4CCOCC4)n(Cc4nc(C)ccc4O)c3c2)c1
    InChI
    InChI=1S/C32H40N6O3/c1-23-6-9-26(5-3-16-39)28(19-23)34-21-25-8-10-27-30(20-25)38(22-29-31(40)11-7-24(2)35-29)32(36-27)33-12-4-13-37-14-17-41-18-15-37/h6-11,19-21,39-40H,3-5,12-18,22H2,1-2H3,(H,33,36)/b34-21+
    MOLECULAR FORMULA
    C32H40N6O3
    CROSS REFERENCES
    1969466 logo

    canSAR1969466

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 556.32
    AlogP 4.61
    HBond donors 3
    HBond acceptors 9
    Atoms 81
    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 canSAR1969466.