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canSAR1589710
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NAMES
    SMILES
    Cc1nc(NCc2sc(C)nc2C)c(C)c(OC[C@H]2C[C@@H]2c2ccccn2)n1
    InChI
    InChI=1S/C21H25N5OS/c1-12-20(23-10-19-13(2)24-15(4)28-19)25-14(3)26-21(12)27-11-16-9-17(16)18-7-5-6-8-22-18/h5-8,16-17H,9-11H2,1-4H3,(H,23,25,26)/t16-,17+/m1/s1
    MOLECULAR FORMULA
    C21H25N5OS
    CROSS REFERENCES
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    canSAR1589710

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 395.18
    AlogP 4.36
    HBond donors 1
    HBond acceptors 6
    Atoms 53
    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 canSAR1589710.