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canSAR1526866
FEATURES
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NAMES
    SMILES
    C[C@H](NC(=O)N(C)Cc1ccncn1)c1ccc(OC2CCN(c3ccc(OCC4CC4)cc3)C2)cc1
    InChI
    InChI=1S/C29H35N5O3/c1-21(32-29(35)33(2)17-24-13-15-30-20-31-24)23-5-9-27(10-6-23)37-28-14-16-34(18-28)25-7-11-26(12-8-25)36-19-22-3-4-22/h5-13,15,20-22,28H,3-4,14,16-19H2,1-2H3,(H,32,35)/t21-,28?/m0/s1
    MOLECULAR FORMULA
    C29H35N5O3
    CROSS REFERENCES
    1526866 logo

    canSAR1526866

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 501.27
    AlogP 4.83
    HBond donors 1
    HBond acceptors 8
    Atoms 72
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1526866.