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canSAR1830837
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NAMES
    SMILES
    COc1ccc(Cc2nnc(NN=C(C)c3ccccc3)nc2O)cc1OC
    InChI
    InChI=1S/C20H21N5O3/c1-13(15-7-5-4-6-8-15)22-24-20-21-19(26)16(23-25-20)11-14-9-10-17(27-2)18(12-14)28-3/h4-10,12H,11H2,1-3H3,(H2,21,24,25,26)
    MOLECULAR FORMULA
    C20H21N5O3
    CROSS REFERENCES
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    canSAR1830837

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 379.16
    AlogP 3.02
    HBond donors 2
    HBond acceptors 8
    Atoms 49
    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 canSAR1830837.