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canSAR1027813
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NAMES
    SMILES
    CSc1ccccc1Nc1nc(N2C3CCC2CC(N)C3)nc2c(NCC3CC3)ncnc12
    InChI
    InChI=1S/C24H30N8S/c1-33-19-5-3-2-4-18(19)29-23-20-21(22(28-13-27-20)26-12-14-6-7-14)30-24(31-23)32-16-8-9-17(32)11-15(25)10-16/h2-5,13-17H,6-12,25H2,1H3,(H,26,27,28)(H,29,30,31)
    MOLECULAR FORMULA
    C24H30N8S
    CROSS REFERENCES
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    canSAR1027813

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 462.23
    AlogP 4.17
    HBond donors 4
    HBond acceptors 8
    Atoms 63
    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 canSAR1027813.