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canSAR1861627
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NAMES
    SMILES
    CNCCN1CCCCc2cc(NC(=N)c3cccs3)ccc21.Cl
    InChI
    InChI=1S/C18H24N4S.ClH/c1-20-9-11-22-10-3-2-5-14-13-15(7-8-16(14)22)21-18(19)17-6-4-12-23-17;/h4,6-8,12-13,20H,2-3,5,9-11H2,1H3,(H2,19,21);1H
    MOLECULAR FORMULA
    C18H25ClN4S
    CROSS REFERENCES
    1861627 logo

    canSAR1861627

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 364.15
    AlogP 3.97
    HBond donors 3
    HBond acceptors 4
    Atoms 49
    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 canSAR1861627.