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canSAR2084637
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NAMES
    SMILES
    CN1CC2(CCN(c3nc(-c4cnc(N)nc4)cc(N4C[C@@H]5C[C@H]4CO5)n3)CC2)C1
    InChI
    InChI=1S/C21H28N8O/c1-27-12-21(13-27)2-4-28(5-3-21)20-25-17(14-8-23-19(22)24-9-14)7-18(26-20)29-10-16-6-15(29)11-30-16/h7-9,15-16H,2-6,10-13H2,1H3,(H2,22,23,24)/t15-,16-/m0/s1
    MOLECULAR FORMULA
    C21H28N8O
    CROSS REFERENCES
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    canSAR2084637

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 408.24
    AlogP 1.03
    HBond donors 2
    HBond acceptors 9
    Atoms 58
    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 canSAR2084637.