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canSAR1860131
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NAMES
    SMILES
    C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CN(C)c1ccccc1)c1cccs1
    InChI
    InChI=1S/C19H19N9O2S/c1-12(15-9-6-10-31-15)21-23-19(29)16-14(11-27(2)13-7-4-3-5-8-13)28(26-22-16)18-17(20)24-30-25-18/h3-10H,11H2,1-2H3,(H2,20,24)(H,23,29)/b21-12+
    MOLECULAR FORMULA
    C19H19N9O2S
    CROSS REFERENCES
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    canSAR1860131

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 437.14
    AlogP 2.08
    HBond donors 3
    HBond acceptors 11
    Atoms 50
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1860131.