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canSAR1688887
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NAMES
    SMILES
    CNCCCN(C)c1nccc(C(C#N)c2nc3ccccc3s2)n1
    InChI
    InChI=1S/C18H20N6S/c1-20-9-5-11-24(2)18-21-10-8-14(23-18)13(12-19)17-22-15-6-3-4-7-16(15)25-17/h3-4,6-8,10,13,20H,5,9,11H2,1-2H3
    MOLECULAR FORMULA
    C18H20N6S
    CROSS REFERENCES
    1688887 logo

    canSAR1688887

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 352.15
    AlogP 2.79
    HBond donors 1
    HBond acceptors 6
    Atoms 45
    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 canSAR1688887.