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canSAR1145428
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NAMES
    SMILES
    O=C(Nc1ccccc1N1CCNCC1)c1csc(Nc2n[nH]c3ccccc23)n1
    InChI
    InChI=1S/C21H21N7OS/c29-20(23-16-7-3-4-8-18(16)28-11-9-22-10-12-28)17-13-30-21(24-17)25-19-14-5-1-2-6-15(14)26-27-19/h1-8,13,22H,9-12H2,(H,23,29)(H2,24,25,26,27)
    MOLECULAR FORMULA
    C21H21N7OS
    CROSS REFERENCES
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    canSAR1145428

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 419.15
    AlogP 3.42
    HBond donors 4
    HBond acceptors 8
    Atoms 51
    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 canSAR1145428.