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canSAR1620915
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NAMES
    SMILES
    Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(Nc3nccs3)c2c1=O
    InChI
    InChI=1S/C21H20N6O2S/c1-26-13-23-17-12-16(14-2-4-15(5-3-14)27-7-9-29-10-8-27)24-19(18(17)20(26)28)25-21-22-6-11-30-21/h2-6,11-13H,7-10H2,1H3,(H,22,24,25)
    MOLECULAR FORMULA
    C21H20N6O2S
    CROSS REFERENCES
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    canSAR1620915

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 420.14
    AlogP 3.03
    HBond donors 1
    HBond acceptors 8
    Atoms 50
    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 canSAR1620915.