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canSAR1991911
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NAMES
    SMILES
    Cc1cc(C)c(NC(=S)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1C
    InChI
    InChI=1S/C19H23N5O2S/c1-13-10-15(3)17(11-14(13)2)21-19(27)23-8-6-22(7-9-23)18-5-4-16(12-20-18)24(25)26/h4-5,10-12H,6-9H2,1-3H3,(H,21,27)
    MOLECULAR FORMULA
    C19H23N5O2S
    CROSS REFERENCES
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    canSAR1991911

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 385.16
    AlogP 3.43
    HBond donors 1
    HBond acceptors 7
    Atoms 50
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1991911.