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canSAR1501190
FEATURES
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NAMES
    SMILES
    CS(=O)(=O)O.OCCn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1
    InChI
    InChI=1S/C19H16N8O.CH4O3S/c28-7-6-26-12-15(9-22-26)17-10-21-18-19(23-17)27(25-24-18)11-13-3-4-16-14(8-13)2-1-5-20-16;1-5(2,3)4/h1-5,8-10,12,28H,6-7,11H2;1H3,(H,2,3,4)
    MOLECULAR FORMULA
    C20H20N8O4S
    CROSS REFERENCES
    1501190 logo

    canSAR1501190

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 468.13
    AlogP 1.18
    HBond donors 2
    HBond acceptors 12
    Atoms 53
    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 canSAR1501190.