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canSAR64514
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NAMES
    SMILES
    O=C(NCCCCc1cccnc1)c1ccc(-c2cccc(OC3=CC=CC=CC3)c2)cc1
    InChI
    InChI=1S/C29H28N2O2/c32-29(31-20-6-5-9-23-10-8-19-30-22-23)25-17-15-24(16-18-25)26-11-7-14-28(21-26)33-27-12-3-1-2-4-13-27/h1-4,7-8,10-12,14-19,21-22H,5-6,9,13,20H2,(H,31,32)
    MOLECULAR FORMULA
    C29H28N2O2
    CROSS REFERENCES
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    canSAR64514

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 436.22
    AlogP 6.28
    HBond donors 1
    HBond acceptors 4
    Atoms 61
    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 canSAR64514.