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canSAR785962
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NAMES
    SMILES
    NCCCCCCN1CC2[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)C(C1)N2CCc1c[nH]c2ccccc12
    InChI
    InChI=1S/C36H46N4O2/c37-20-11-1-2-12-21-39-24-33-35(41-26-28-13-5-3-6-14-28)36(42-27-29-15-7-4-8-16-29)34(25-39)40(33)22-19-30-23-38-32-18-10-9-17-31(30)32/h3-10,13-18,23,33-36,38H,1-2,11-12,19-22,24-27,37H2/t33?,34?,35-,36?/m1/s1
    MOLECULAR FORMULA
    C36H46N4O2
    CROSS REFERENCES
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    canSAR785962

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 566.36
    AlogP 5.77
    HBond donors 3
    HBond acceptors 6
    Atoms 88
    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 canSAR785962.