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canSAR1027780
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NAMES
    SMILES
    C[C@H]1CC[C@H](Oc2nc(N)c3c(=O)ccn([C@H]4CCC[C@@H]4O)c3n2)CC1
    InChI
    InChI=1S/C19H26N4O3/c1-11-5-7-12(8-6-11)26-19-21-17(20)16-15(25)9-10-23(18(16)22-19)13-3-2-4-14(13)24/h9-14,24H,2-8H2,1H3,(H2,20,21,22)/t11-,12-,13-,14-/m0/s1
    MOLECULAR FORMULA
    C19H26N4O3
    CROSS REFERENCES
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    canSAR1027780

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 358.20
    AlogP 2.42
    HBond donors 3
    HBond acceptors 7
    Atoms 52
    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 canSAR1027780.