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canSAR463026
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NAMES
    SMILES
    Oc1cc(NC[C@H]2CC[C@H]2NCc2ccc(Cl)c(Cl)c2)nc2ccccc12
    InChI
    InChI=1S/C21H21Cl2N3O/c22-16-7-5-13(9-17(16)23)11-24-18-8-6-14(18)12-25-21-10-20(27)15-3-1-2-4-19(15)26-21/h1-5,7,9-10,14,18,24H,6,8,11-12H2,(H2,25,26,27)/t14-,18-/m1/s1
    MOLECULAR FORMULA
    C21H21Cl2N3O
    CROSS REFERENCES
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    canSAR463026

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 401.11
    AlogP 5.23
    HBond donors 3
    HBond acceptors 4
    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 canSAR463026.