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canSAR1431668
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NAMES
    SMILES
    c1ccc2nc(N3CC(c4nccnc4N4CCCC4c4nccs4)C3)ccc2c1
    InChI
    InChI=1S/C23H22N6S/c1-2-5-18-16(4-1)7-8-20(27-18)28-14-17(15-28)21-22(25-10-9-24-21)29-12-3-6-19(29)23-26-11-13-30-23/h1-2,4-5,7-11,13,17,19H,3,6,12,14-15H2
    MOLECULAR FORMULA
    C23H22N6S
    CROSS REFERENCES
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    canSAR1431668

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 414.16
    AlogP 4.43
    HBond donors 0
    HBond acceptors 6
    Atoms 52
    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 canSAR1431668.