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canSAR918690
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NAMES
    SMILES
    Cc1cc(=O)n2c3ccccc3n(C[C@@H](O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2c1C#N
    InChI
    InChI=1S/C32H31N5O2/c1-23-20-29(38)37-28-15-9-8-14-27(28)36(32(37)26(23)21-33)22-30(39)34-16-18-35(19-17-34)31(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-15,20,30-31,39H,16-19,22H2,1H3/t30-/m1/s1
    MOLECULAR FORMULA
    C32H31N5O2
    CROSS REFERENCES
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    canSAR918690

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 517.25
    AlogP 4.16
    HBond donors 1
    HBond acceptors 7
    Atoms 70
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR918690.