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canSAR172259
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NAMES
    SMILES
    Nc1nc(NC[C@H]2CCCN2Cc2c(Cl)cncc2Cl)nc2nc(-c3ccco3)nn12
    InChI
    InChI=1S/C19H19Cl2N9O/c20-13-8-23-9-14(21)12(13)10-29-5-1-3-11(29)7-24-18-26-17(22)30-19(27-18)25-16(28-30)15-4-2-6-31-15/h2,4,6,8-9,11H,1,3,5,7,10H2,(H3,22,24,25,26,27,28)/t11-/m1/s1
    MOLECULAR FORMULA
    C19H19Cl2N9O
    CROSS REFERENCES
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    canSAR172259

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 459.11
    AlogP 3.14
    HBond donors 3
    HBond acceptors 10
    Atoms 50
    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 canSAR172259.