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canSAR1061797
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NAMES
    SMILES
    CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CC2CCC1C2
    InChI
    InChI=1S/C17H21N5O2S/c1-25(23,24)20-9-15-21-13-8-19-17-12(4-5-18-17)16(13)22(15)14-7-10-2-3-11(14)6-10/h4-5,8,10-11,14,20H,2-3,6-7,9H2,1H3,(H,18,19)
    MOLECULAR FORMULA
    C17H21N5O2S
    CROSS REFERENCES
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    canSAR1061797

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 359.14
    AlogP 2.32
    HBond donors 2
    HBond acceptors 7
    Atoms 46
    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 canSAR1061797.