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canSAR1719842
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NAMES
    SMILES
    C[C@@H]1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1)OCO3
    InChI
    InChI=1S/C17H17N3O2/c1-10-6-12-7-15-16(22-9-21-15)8-14(12)17(20-19-10)11-2-4-13(18)5-3-11/h2-5,7-8,10,19H,6,9,18H2,1H3/t10-/m1/s1
    MOLECULAR FORMULA
    C17H17N3O2
    CROSS REFERENCES
    1719842 logo

    canSAR1719842

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 295.13
    AlogP 2.28
    HBond donors 3
    HBond acceptors 5
    Atoms 39
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1719842.