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canSAR1402976
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NAMES
    SMILES
    CCC(c1nnnn1Cc1cccs1)N1CCN(C2CCCC2)CC1.Cl
    InChI
    InChI=1S/C18H28N6S.ClH/c1-2-17(18-19-20-21-24(18)14-16-8-5-13-25-16)23-11-9-22(10-12-23)15-6-3-4-7-15;/h5,8,13,15,17H,2-4,6-7,9-12,14H2,1H3;1H
    MOLECULAR FORMULA
    C18H29ClN6S
    CROSS REFERENCES
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    canSAR1402976

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 396.19
    AlogP 3.22
    HBond donors 0
    HBond acceptors 6
    Atoms 55
    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 canSAR1402976.