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canSAR1110972
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NAMES
    SMILES
    Cc1ccc(Cn2cc(CO/N=C/c3c(-c4ccc(C)cc4)nc4ccc(Br)cn34)nn2)cc1
    InChI
    InChI=1S/C26H23BrN6O/c1-18-3-7-20(8-4-18)14-32-16-23(30-31-32)17-34-28-13-24-26(21-9-5-19(2)6-10-21)29-25-12-11-22(27)15-33(24)25/h3-13,15-16H,14,17H2,1-2H3/b28-13+
    MOLECULAR FORMULA
    C26H23BrN6O
    CROSS REFERENCES
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    canSAR1110972

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 514.11
    AlogP 5.57
    HBond donors 0
    HBond acceptors 7
    Atoms 57
    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 canSAR1110972.