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canSAR1491581
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NAMES
    SMILES
    COc1cccc(/C=N/Nc2nc(Nc3ccc([N+](=O)[O-])cc3)nc(N3CCCC3)n2)c1O
    InChI
    InChI=1S/C21H22N8O4/c1-33-17-6-4-5-14(18(17)30)13-22-27-20-24-19(25-21(26-20)28-11-2-3-12-28)23-15-7-9-16(10-8-15)29(31)32/h4-10,13,30H,2-3,11-12H2,1H3,(H2,23,24,25,26,27)/b22-13+
    MOLECULAR FORMULA
    C21H22N8O4
    CROSS REFERENCES
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    canSAR1491581

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 450.18
    AlogP 3.28
    HBond donors 3
    HBond acceptors 12
    Atoms 55
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1491581.