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canSAR1593969
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NAMES
    SMILES
    CN1C(C(=O)NCc2cccc(Br)c2)CC2Cn3c(nc4cc(Cl)c(Cl)cc43)C21
    InChI
    InChI=1S/C21H19BrCl2N4O/c1-27-18(21(29)25-9-11-3-2-4-13(22)5-11)6-12-10-28-17-8-15(24)14(23)7-16(17)26-20(28)19(12)27/h2-5,7-8,12,18-19H,6,9-10H2,1H3,(H,25,29)
    MOLECULAR FORMULA
    C21H19BrCl2N4O
    CROSS REFERENCES
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    canSAR1593969

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 492.01
    AlogP 4.80
    HBond donors 1
    HBond acceptors 5
    Atoms 48
    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 canSAR1593969.