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canSAR829154
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NAMES
    SMILES
    Nc1nc(N2CCN3C[C@@H](CN(Cc4ccco4)Cc4ccco4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12
    InChI
    InChI=1S/C27H31N9O3/c28-25-30-26(31-27-29-24(32-36(25)27)23-6-3-13-39-23)35-10-9-34-15-19(7-8-20(34)16-35)14-33(17-21-4-1-11-37-21)18-22-5-2-12-38-22/h1-6,11-13,19-20H,7-10,14-18H2,(H2,28,29,30,31,32)/t19-,20+/m1/s1
    MOLECULAR FORMULA
    C27H31N9O3
    CROSS REFERENCES
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    canSAR829154

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 529.25
    AlogP 3.15
    HBond donors 2
    HBond acceptors 12
    Atoms 70
    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 canSAR829154.