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canSAR1491540
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NAMES
    SMILES
    CNC(=O)c1ccc(CNc2nc(NCCN3CCN(C)CC3)nc(N3CCc4cc(OC)c(OC)cc4C3)n2)cc1
    InChI
    InChI=1S/C30H41N9O3/c1-31-27(40)22-7-5-21(6-8-22)19-33-29-34-28(32-10-12-38-15-13-37(2)14-16-38)35-30(36-29)39-11-9-23-17-25(41-3)26(42-4)18-24(23)20-39/h5-8,17-18H,9-16,19-20H2,1-4H3,(H,31,40)(H2,32,33,34,35,36)
    MOLECULAR FORMULA
    C30H41N9O3
    CROSS REFERENCES
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    canSAR1491540

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 575.33
    AlogP 2.08
    HBond donors 3
    HBond acceptors 12
    Atoms 83
    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 canSAR1491540.