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canSAR787122
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NAMES
    SMILES
    Nc1cc(N2CCN3[C@@H](CCC[C@@H]3CO)C2)nc2nc(-c3ccco3)nn12
    InChI
    InChI=1S/C18H23N7O2/c19-15-9-16(20-18-21-17(22-25(15)18)14-5-2-8-27-14)23-6-7-24-12(10-23)3-1-4-13(24)11-26/h2,5,8-9,12-13,26H,1,3-4,6-7,10-11,19H2/t12-,13+/m0/s1
    MOLECULAR FORMULA
    C18H23N7O2
    CROSS REFERENCES
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    canSAR787122

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 369.19
    AlogP 1.00
    HBond donors 3
    HBond acceptors 9
    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 canSAR787122.