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canSAR1970976
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NAMES
    SMILES
    NCC[C@H]1CN=C(C=Cc2ccccc2)N1
    InChI
    InChI=1S/C13H17N3/c14-9-8-12-10-15-13(16-12)7-6-11-4-2-1-3-5-11/h1-7,12H,8-10,14H2,(H,15,16)/t12-/m0/s1
    MOLECULAR FORMULA
    C13H17N3
    CROSS REFERENCES
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    canSAR1970976

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 215.14
    AlogP 1.42
    HBond donors 3
    HBond acceptors 3
    Atoms 33
    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 canSAR1970976.