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canSAR1520440
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NAMES
    SMILES
    Cc1ccc(-n2ncc(C(=O)NCCN3CCc4ccccc4C3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1
    InChI
    InChI=1S/C32H41N5O3/c1-23-9-11-27(12-10-23)37-29(25-14-18-36(19-15-25)31(39)40-32(2,3)4)28(21-34-37)30(38)33-16-20-35-17-13-24-7-5-6-8-26(24)22-35/h5-12,21,25H,13-20,22H2,1-4H3,(H,33,38)
    MOLECULAR FORMULA
    C32H41N5O3
    CROSS REFERENCES
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    canSAR1520440

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 543.32
    AlogP 5.08
    HBond donors 1
    HBond acceptors 8
    Atoms 81
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1520440.