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canSAR46561
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NAMES
    SMILES
    CCOc1cccc(-n2cc(C(=O)N3CCN(c4cnc5ccccc5c4)C[C@@H]3CNC(=O)NC)nc2-c2ccc(C)cc2)c1
    InChI
    InChI=1S/C35H37N7O3/c1-4-45-30-10-7-9-27(19-30)42-23-32(39-33(42)25-14-12-24(2)13-15-25)34(43)41-17-16-40(22-29(41)21-38-35(44)36-3)28-18-26-8-5-6-11-31(26)37-20-28/h5-15,18-20,23,29H,4,16-17,21-22H2,1-3H3,(H2,36,38,44)/t29-/m0/s1
    MOLECULAR FORMULA
    C35H37N7O3
    CROSS REFERENCES
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    canSAR46561

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 603.30
    AlogP 5.05
    HBond donors 2
    HBond acceptors 10
    Atoms 82
    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 canSAR46561.