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canSAR1516644
FEATURES
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NAMES
    SMILES
    Cc1ccc(C(=O)N2CCC3(CC2)OCc2cc(C#N)ccc23)cc1NC(=O)c1ccc(N2CCNCC2)nc1
    InChI
    InChI=1S/C31H32N6O3/c1-21-2-4-23(17-27(21)35-29(38)24-5-7-28(34-19-24)36-14-10-33-11-15-36)30(39)37-12-8-31(9-13-37)26-6-3-22(18-32)16-25(26)20-40-31/h2-7,16-17,19,33H,8-15,20H2,1H3,(H,35,38)
    MOLECULAR FORMULA
    C31H32N6O3
    CROSS REFERENCES
    1516644 logo

    canSAR1516644

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 536.25
    AlogP 3.59
    HBond donors 2
    HBond acceptors 9
    Atoms 72
    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 canSAR1516644.