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canSAR1685364
FEATURES
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NAMES
    SMILES
    COc1ccc(CNC(=O)c2cccn2-c2nnc(N3CCCC3)s2)c(OC)c1
    InChI
    InChI=1S/C20H23N5O3S/c1-27-15-8-7-14(17(12-15)28-2)13-21-18(26)16-6-5-11-25(16)20-23-22-19(29-20)24-9-3-4-10-24/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,21,26)
    MOLECULAR FORMULA
    C20H23N5O3S
    CROSS REFERENCES
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    canSAR1685364

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 413.15
    AlogP 2.88
    HBond donors 1
    HBond acceptors 8
    Atoms 52
    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 canSAR1685364.