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canSAR931936
FEATURES
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NAMES
    SMILES
    CCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccccc3Br)N2C1=O
    InChI
    InChI=1S/C21H18BrN3O2/c1-2-24-20(26)17-11-14-12-7-4-6-10-16(12)23-18(14)19(25(17)21(24)27)13-8-3-5-9-15(13)22/h3-10,17,19,23H,2,11H2,1H3/t17-,19-/m1/s1
    MOLECULAR FORMULA
    C21H18BrN3O2
    CROSS REFERENCES
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    canSAR931936

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 423.06
    AlogP 4.23
    HBond donors 1
    HBond acceptors 5
    Atoms 45
    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 canSAR931936.