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canSAR1093625
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NAMES
    SMILES
    COc1nc(Cl)nc(C)c1Nc1nc(Br)cn([C@@H](COCCF)C2CC2)c1=O
    InChI
    InChI=1S/C17H20BrClFN5O3/c1-9-13(15(27-2)24-17(19)21-9)23-14-16(26)25(7-12(18)22-14)11(10-3-4-10)8-28-6-5-20/h7,10-11H,3-6,8H2,1-2H3,(H,22,23)/t11-/m0/s1
    MOLECULAR FORMULA
    C17H20BrClFN5O3
    CROSS REFERENCES
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    canSAR1093625

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 475.04
    AlogP 3.45
    HBond donors 1
    HBond acceptors 8
    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 canSAR1093625.