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canSAR1587963
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NAMES
    SMILES
    O=C(N[C@H]1CC[C@H](CCn2cc(-c3ccccn3)nn2)O[C@@H]1CO)c1ccncc1
    InChI
    InChI=1S/C21H24N6O3/c28-14-20-18(24-21(29)15-6-10-22-11-7-15)5-4-16(30-20)8-12-27-13-19(25-26-27)17-3-1-2-9-23-17/h1-3,6-7,9-11,13,16,18,20,28H,4-5,8,12,14H2,(H,24,29)/t16-,18+,20-/m1/s1
    MOLECULAR FORMULA
    C21H24N6O3
    CROSS REFERENCES
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    canSAR1587963

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 408.19
    AlogP 1.46
    HBond donors 2
    HBond acceptors 9
    Atoms 54
    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 canSAR1587963.