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canSAR1620094
FEATURES
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NAMES
    SMILES
    Cc1nc(NCCNC(=O)c2ccco2)c2c(C)c(C)sc2n1
    InChI
    InChI=1S/C16H18N4O2S/c1-9-10(2)23-16-13(9)14(19-11(3)20-16)17-6-7-18-15(21)12-5-4-8-22-12/h4-5,8H,6-7H2,1-3H3,(H,18,21)(H,17,19,20)
    MOLECULAR FORMULA
    C16H18N4O2S
    CROSS REFERENCES
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    canSAR1620094

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 330.12
    AlogP 3.05
    HBond donors 2
    HBond acceptors 6
    Atoms 41
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1620094.