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canSAR1687087
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NAMES
    SMILES
    COc1nc(NCCO)nc(Nc2cc(Cl)ccc2OC)n1
    InChI
    InChI=1S/C13H16ClN5O3/c1-21-10-4-3-8(14)7-9(10)16-12-17-11(15-5-6-20)18-13(19-12)22-2/h3-4,7,20H,5-6H2,1-2H3,(H2,15,16,17,18,19)
    MOLECULAR FORMULA
    C13H16ClN5O3
    CROSS REFERENCES
    1687087 logo

    canSAR1687087

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 325.09
    AlogP 1.69
    HBond donors 3
    HBond acceptors 8
    Atoms 38
    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 canSAR1687087.