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canSAR645687
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NAMES
    SMILES
    CN1CCN(CCCCN2c3ccccc3Sc3cc(N=[N+]=[N-])ccc32)CC1
    InChI
    InChI=1S/C21H26N6S/c1-25-12-14-26(15-13-25)10-4-5-11-27-18-6-2-3-7-20(18)28-21-16-17(23-24-22)8-9-19(21)27/h2-3,6-9,16H,4-5,10-15H2,1H3
    MOLECULAR FORMULA
    C21H26N6S
    CROSS REFERENCES
    645687 logo

    canSAR645687

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 394.19
    AlogP 5.26
    HBond donors 0
    HBond acceptors 6
    Atoms 54
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR645687.