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canSAR552102
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NAMES
    SMILES
    COc1cc2c(Nc3cccc(Br)c3)ncnc2c(OC)c1OC
    InChI
    InChI=1S/C17H16BrN3O3/c1-22-13-8-12-14(16(24-3)15(13)23-2)19-9-20-17(12)21-11-6-4-5-10(18)7-11/h4-9H,1-3H3,(H,19,20,21)
    MOLECULAR FORMULA
    C17H16BrN3O3
    CROSS REFERENCES
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    canSAR552102

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 389.04
    AlogP 4.16
    HBond donors 1
    HBond acceptors 6
    Atoms 40
    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 canSAR552102.