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canSAR93542
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NAMES
    SMILES
    CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncc(C(C)C)n2n1
    InChI
    InChI=1S/C19H26N6O/c1-4-15(12-26)22-19-23-17(20-10-14-8-6-5-7-9-14)18-21-11-16(13(2)3)25(18)24-19/h5-9,11,13,15,26H,4,10,12H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
    MOLECULAR FORMULA
    C19H26N6O
    CROSS REFERENCES
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    canSAR93542

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 354.22
    AlogP 3.04
    HBond donors 3
    HBond acceptors 7
    Atoms 52
    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 canSAR93542.