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canSAR1027372
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NAMES
    SMILES
    Cc1c(NC(=O)c2ccc(OCC3CC3)cc2)ccc2cc(C(C)NCCO)cnc12
    InChI
    InChI=1S/C25H29N3O3/c1-16-23(10-7-20-13-21(14-27-24(16)20)17(2)26-11-12-29)28-25(30)19-5-8-22(9-6-19)31-15-18-3-4-18/h5-10,13-14,17-18,26,29H,3-4,11-12,15H2,1-2H3,(H,28,30)
    MOLECULAR FORMULA
    C25H29N3O3
    CROSS REFERENCES
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    canSAR1027372

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 419.22
    AlogP 4.23
    HBond donors 3
    HBond acceptors 6
    Atoms 60
    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 canSAR1027372.