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canSAR2089241
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NAMES
    SMILES
    CCc1c(C)sc2nc(-c3ccncc3)nc(NC[C@@H](C)N)c12
    InChI
    InChI=1S/C17H21N5S/c1-4-13-11(3)23-17-14(13)16(20-9-10(2)18)21-15(22-17)12-5-7-19-8-6-12/h5-8,10H,4,9,18H2,1-3H3,(H,20,21,22)/t10-/m1/s1
    MOLECULAR FORMULA
    C17H21N5S
    CROSS REFERENCES
    2089241 logo

    canSAR2089241

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 327.15
    AlogP 3.38
    HBond donors 3
    HBond acceptors 5
    Atoms 44
    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 canSAR2089241.